12-(4,6-diphenylpyrimidin-2-yl)-3,8-diethyl-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-3,8-dimethyl-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-5-methyl-11-phenylindolo[2,3-a]carbazole;5-[6-[3-methyl-5-(N-phenylanilino)phenyl]-2-(11-phenylindolo[2,3-a]carbazol-12-yl)pyrimidin-4-yl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine

C204H147N19 — CID 161276109

IUPAC12-(4,6-diphenylpyrimidin-2-yl)-3,8-diethyl-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-3,8-dimethyl-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-5-methyl-11-phenylindolo[2,3-a]carbazole;5-[6-[3-methyl-5-(N-phenylanilino)phenyl]-2-(11-phenylindolo[2,3-a]carbazol-12-yl)pyrimidin-4-yl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
SMILESCCc1ccc2c(c1)c1ccc3c4cc(CC)ccc4n(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c3c1n2-c1ccccc1.Cc1cc(-c2cc(-c3cc(N(c4ccccc4)c4ccccc4)cc(N(c4ccccc4)c4ccccc4)c3)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)n2)cc(N(c2ccccc2)c2ccccc2)c1.Cc1cc2c3ccccc3n(-c3ccccc3)c2c2c1c1ccccc1n2-c1nc(-c2ccccc2)cc(-c2ccccc2)n1.Cc1ccc2c(c1)c1ccc3c4cc(C)ccc4n(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c3c1n2-c1ccccc1
InChIInChI=1S/C77H55N7.C44H34N4.C42H30N4.C41H28N4/c1-54-47-55(49-64(48-54)80(57-27-9-2-10-28-57)58-29-11-3-12-30-58)71-53-72(79-77(78-71)84-74-44-26-24-42-68(74)70-46-45-69-67-41-23-25-43-73(67)83(75(69)76(70)84)63-39-21-8-22-40-63)56-50-65(81(59-31-13-4-14-32-59)60-33-15-5-16-34-60)52-66(51-56)82(61-35-17-6-18-36-61)62-37-19-7-20-38-62;1-3-29-20-24-40-36(26-29)34-22-23-35-37-27-30(4-2)21-25-41(37)48(43(35)42(34)47(40)33-18-12-7-13-19-33)44-45-38(31-14-8-5-9-15-31)28-39(46-44)32-16-10-6-11-17-32;1-27-18-22-38-34(24-27)32-20-21-33-35-25-28(2)19-23-39(35)46(41(33)40(32)45(38)31-16-10-5-11-17-31)42-43-36(29-12-6-3-7-13-29)26-37(44-42)30-14-8-4-9-15-30;1-27-25-33-31-21-11-13-23-36(31)44(30-19-9-4-10-20-30)39(33)40-38(27)32-22-12-14-24-37(32)45(40)41-42-34(28-15-5-2-6-16-28)26-35(43-41)29-17-7-3-8-18-29/h2-53H,1H3;5-28H,3-4H2,1-2H3;3-26H,1-2H3;2-26H,1H3
InChIKeyVELPONGNFLWRSQ-UHFFFAOYSA-N
MW2864.55 g/mol
LogP52.79
Rot. Bonds27

About 12-(4,6-diphenylpyrimidin-2-yl)-3,8-diethyl-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-3,8-dimethyl-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-5-methyl-11-phenylindolo[2,3-a]carbazole;5-[6-[3-methyl-5-(N-phenylanilino)phenyl]-2-(11-phenylindolo[2,3-a]carbazol-12-yl)pyrimidin-4-yl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine

12-(4,6-diphenylpyrimidin-2-yl)-3,8-diethyl-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-3,8-dimethyl-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-5-methyl-11-phenylindolo[2,3-a]carbazole;5-[6-[3-methyl-5-(N-phenylanilino)phenyl]-2-(11-phenylindolo[2,3-a]carbazol-12-yl)pyrimidin-4-yl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine (PubChem CID 161276109) has the molecular formula C204H147N19 and a molecular weight of 2864.55 g/mol. Its IUPAC name is 12-(4,6-diphenylpyrimidin-2-yl)-3,8-diethyl-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-3,8-dimethyl-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-5-methyl-11-phenylindolo[2,3-a]carbazole;5-[6-[3-methyl-5-(N-phenylanilino)phenyl]-2-(11-phenylindolo[2,3-a]carbazol-12-yl)pyrimidin-4-yl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine.

Molecular Properties

Compound Name12-(4,6-diphenylpyrimidin-2-yl)-3,8-diethyl-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-3,8-dimethyl-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-5-methyl-11-phenylindolo[2,3-a]carbazole;5-[6-[3-methyl-5-(N-phenylanilino)phenyl]-2-(11-phenylindolo[2,3-a]carbazol-12-yl)pyrimidin-4-yl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
PubChem CID161276109
Molecular FormulaC204H147N19
Molecular Weight2864.55 g/mol
Exact Mass2862.21
IUPAC Name12-(4,6-diphenylpyrimidin-2-yl)-3,8-diethyl-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-3,8-dimethyl-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-5-methyl-11-phenylindolo[2,3-a]carbazole;5-[6-[3-methyl-5-(N-phenylanilino)phenyl]-2-(11-phenylindolo[2,3-a]carbazol-12-yl)pyrimidin-4-yl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
SMILESCCc1ccc2c(c1)c1ccc3c4cc(CC)ccc4n(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c3c1n2-c1ccccc1.Cc1cc(-c2cc(-c3cc(N(c4ccccc4)c4ccccc4)cc(N(c4ccccc4)c4ccccc4)c3)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)n2)cc(N(c2ccccc2)c2ccccc2)c1.Cc1cc2c3ccccc3n(-c3ccccc3)c2c2c1c1ccccc1n2-c1nc(-c2ccccc2)cc(-c2ccccc2)n1.Cc1ccc2c(c1)c1ccc3c4cc(C)ccc4n(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c3c1n2-c1ccccc1
InChIInChI=1S/C77H55N7.C44H34N4.C42H30N4.C41H28N4/c1-54-47-55(49-64(48-54)80(57-27-9-2-10-28-57)58-29-11-3-12-30-58)71-53-72(79-77(78-71)84-74-44-26-24-42-68(74)70-46-45-69-67-41-23-25-43-73(67)83(75(69)76(70)84)63-39-21-8-22-40-63)56-50-65(81(59-31-13-4-14-32-59)60-33-15-5-16-34-60)52-66(51-56)82(61-35-17-6-18-36-61)62-37-19-7-20-38-62;1-3-29-20-24-40-36(26-29)34-22-23-35-37-27-30(4-2)21-25-41(37)48(43(35)42(34)47(40)33-18-12-7-13-19-33)44-45-38(31-14-8-5-9-15-31)28-39(46-44)32-16-10-6-11-17-32;1-27-18-22-38-34(24-27)32-20-21-33-35-25-28(2)19-23-39(35)46(41(33)40(32)45(38)31-16-10-5-11-17-31)42-43-36(29-12-6-3-7-13-29)26-37(44-42)30-14-8-4-9-15-30;1-27-25-33-31-21-11-13-23-36(31)44(30-19-9-4-10-20-30)39(33)40-38(27)32-22-12-14-24-37(32)45(40)41-42-34(28-15-5-2-6-16-28)26-35(43-41)29-17-7-3-8-18-29/h2-53H,1H3;5-28H,3-4H2,1-2H3;3-26H,1-2H3;2-26H,1H3
InChIKeyVELPONGNFLWRSQ-UHFFFAOYSA-N
XLogP52.79
TPSA152.28 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds27
Heavy Atoms223
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002864.55
LogP ≤ 552.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Analyze 12-(4,6-diphenylpyrimidin-2-yl)-3,8-diethyl-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-3,8-dimethyl-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-5-methyl-11-phenylindolo[2,3-a]carbazole;5-[6-[3-methyl-5-(N-phenylanilino)phenyl]-2-(11-phenylindolo[2,3-a]carbazol-12-yl)pyrimidin-4-yl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine with MolForge

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Related Compounds

12-(4,6-diphenylpyrimidin-2-yl)-3,8-diethyl-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-3,8-dimethyl-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-5-methyl-11-phenylindolo[2,3-a]carbazole
CID 159013208
12-[4,6-bis(3,5-dimethylphenyl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,8-dimethyl-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methyl-11-phenylindolo[2,3-a]carbazole
CID 157204309
12-[4,6-bis(3-octylphenyl)pyrimidin-2-yl]-11-phenylindolo[2,3-a]carbazole;11-(4-tert-butylphenyl)-12-(4,6-diphenylpyrimidin-2-yl)indolo[2,3-a]carbazole;12-(2,6-diphenyl-4-pyridinyl)-11-phenyl-3,8-dipyridin-2-ylindolo[2,3-a]carbazole;12-(2,6-diphenyl-4-pyridinyl)-11-phenylindolo[2,3-a]carbazole;12-(2,6-diphenyl-4-pyridinyl)-3,8,11-triphenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-3,8-diethyl-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-3,8-dimethyl-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-5-methyl-11-phenylindolo[2,3-a]carbazole
CID 160639693
12-[4,6-bis(4-ethylphenyl)pyrimidin-2-yl]-5-phenylindolo[3,2-c]carbazole
CID 118504640
12-(2,6-diphenyl-4-pyridinyl)-5-methyl-11-phenylindolo[2,3-a]carbazole
CID 58142375
9-[4,6-bis(4-methylphenyl)pyrimidin-2-yl]-15-phenyl-9,15-diazahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene
CID 129193047
12-(4,6-diphenylpyrimidin-2-yl)-11-phenylindolo[2,3-a]carbazole;5-(4,6-diphenylpyrimidin-2-yl)-7-phenylindolo[2,3-b]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-5-phenylindolo[3,2-c]carbazole
CID 161105054
[3-[6-(3,5-dimethylphenyl)-2-(11-phenylindolo[2,3-a]carbazol-12-yl)pyrimidin-4-yl]-5-methylphenyl]-iminophosphane
CID 118503370
6-ethyl-N-[4-[10-[4-(N-(6-ethyl-9-phenylcarbazol-3-yl)anilino)phenyl]anthracen-9-yl]phenyl]-N,9-diphenylcarbazol-3-amine;6-methyl-N-[4-[3-methyl-10-[4-(N-(6-methyl-9-phenylcarbazol-3-yl)anilino)phenyl]anthracen-9-yl]phenyl]-N,9-diphenylcarbazol-3-amine;6-methyl-N-[4-[10-[4-(N-(6-methyl-9-phenylcarbazol-3-yl)anilino)phenyl]anthracen-9-yl]phenyl]-N,9-diphenylcarbazol-3-amine
CID 159561442
12-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N,N-diphenylcarbazol-3-amine;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-(4-methylphenyl)-N-phenylcarbazol-3-amine;N,N,4-triphenyl-6-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-1,3,5-triazin-2-amine
CID 158708437
5,11-diphenyl-12-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]indolo[2,3-a]carbazole
CID 170255412
N,N-diphenyl-4-[6-[4-(N-phenylanilino)phenyl]-2-(11-phenylindolo[2,3-a]carbazol-12-yl)pyrimidin-4-yl]aniline;12-(4,6-diphenylpyrimidin-2-yl)-11-pyrimidin-2-ylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-11-(1,3,5-triazin-2-yl)indolo[2,3-a]carbazole;11-phenyl-12-(4-phenylpyrimidin-2-yl)indolo[2,3-a]carbazole
CID 158641050

Frequently Asked Questions

What is the IUPAC name of 12-(4,6-diphenylpyrimidin-2-yl)-3,8-diethyl-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-3,8-dimethyl-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-5-methyl-11-phenylindolo[2,3-a]carbazole;5-[6-[3-methyl-5-(N-phenylanilino)phenyl]-2-(11-phenylindolo[2,3-a]carbazol-12-yl)pyrimidin-4-yl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine?
The IUPAC name of 12-(4,6-diphenylpyrimidin-2-yl)-3,8-diethyl-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-3,8-dimethyl-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-5-methyl-11-phenylindolo[2,3-a]carbazole;5-[6-[3-methyl-5-(N-phenylanilino)phenyl]-2-(11-phenylindolo[2,3-a]carbazol-12-yl)pyrimidin-4-yl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine (CID 161276109) is 12-(4,6-diphenylpyrimidin-2-yl)-3,8-diethyl-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-3,8-dimethyl-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-5-methyl-11-phenylindolo[2,3-a]carbazole;5-[6-[3-methyl-5-(N-phenylanilino)phenyl]-2-(11-phenylindolo[2,3-a]carbazol-12-yl)pyrimidin-4-yl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine.
What is the SMILES notation for 12-(4,6-diphenylpyrimidin-2-yl)-3,8-diethyl-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-3,8-dimethyl-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-5-methyl-11-phenylindolo[2,3-a]carbazole;5-[6-[3-methyl-5-(N-phenylanilino)phenyl]-2-(11-phenylindolo[2,3-a]carbazol-12-yl)pyrimidin-4-yl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine?
The canonical SMILES for 12-(4,6-diphenylpyrimidin-2-yl)-3,8-diethyl-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-3,8-dimethyl-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-5-methyl-11-phenylindolo[2,3-a]carbazole;5-[6-[3-methyl-5-(N-phenylanilino)phenyl]-2-(11-phenylindolo[2,3-a]carbazol-12-yl)pyrimidin-4-yl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine is CCc1ccc2c(c1)c1ccc3c4cc(CC)ccc4n(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c3c1n2-c1ccccc1.Cc1cc(-c2cc(-c3cc(N(c4ccccc4)c4ccccc4)cc(N(c4ccccc4)c4ccccc4)c3)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)n2)cc(N(c2ccccc2)c2ccccc2)c1.Cc1cc2c3ccccc3n(-c3ccccc3)c2c2c1c1ccccc1n2-c1nc(-c2ccccc2)cc(-c2ccccc2)n1.Cc1ccc2c(c1)c1ccc3c4cc(C)ccc4n(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c3c1n2-c1ccccc1.
What is the InChIKey of 12-(4,6-diphenylpyrimidin-2-yl)-3,8-diethyl-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-3,8-dimethyl-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-5-methyl-11-phenylindolo[2,3-a]carbazole;5-[6-[3-methyl-5-(N-phenylanilino)phenyl]-2-(11-phenylindolo[2,3-a]carbazol-12-yl)pyrimidin-4-yl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine?
The InChIKey is VELPONGNFLWRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C77H55N7.C44H34N4.C42H30N4.C41H28N4/c1-54-47-55(49-64(48-54)80(57-27-9-2-10-28-57)58-29-11-3-12-30-58)71-53-72(79-77(78-71)84-74-44-26-24-42-68(74)70-46-45-69-67-41-23-25-43-73(67)83(75(69)76(70)84)63-39-21-8-22-40-63)56-50-65(81(59-31-13-4-14-32-59)60-33-15-5-16-34-60)52-66(51-56)82(61-35-17-6-18-36-61)62-37-19-7-20-38-62;1-3-29-20-24-40-36(26-29)34-22-23-35-37-27-30(4-2)21-25-41(37)48(43(35)42(34)47(40)33-18-12-7-13-19-33)44-45-38(31-14-8-5-9-15-31)28-39(46-44)32-16-10-6-11-17-32;1-27-18-22-38-34(24-27)32-20-21-33-35-25-28(2)19-23-39(35)46(41(33)40(32)45(38)31-16-10-5-11-17-31)42-43-36(29-12-6-3-7-13-29)26-37(44-42)30-14-8-4-9-15-30;1-27-25-33-31-21-11-13-23-36(31)44(30-19-9-4-10-20-30)39(33)40-38(27)32-22-12-14-24-37(32)45(40)41-42-34(28-15-5-2-6-16-28)26-35(43-41)29-17-7-3-8-18-29/h2-53H,1H3;5-28H,3-4H2,1-2H3;3-26H,1-2H3;2-26H,1H3.
What are the key properties of 12-(4,6-diphenylpyrimidin-2-yl)-3,8-diethyl-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-3,8-dimethyl-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-5-methyl-11-phenylindolo[2,3-a]carbazole;5-[6-[3-methyl-5-(N-phenylanilino)phenyl]-2-(11-phenylindolo[2,3-a]carbazol-12-yl)pyrimidin-4-yl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine?
12-(4,6-diphenylpyrimidin-2-yl)-3,8-diethyl-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-3,8-dimethyl-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-5-methyl-11-phenylindolo[2,3-a]carbazole;5-[6-[3-methyl-5-(N-phenylanilino)phenyl]-2-(11-phenylindolo[2,3-a]carbazol-12-yl)pyrimidin-4-yl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine has a molecular weight of 2864.55 g/mol, XLogP of 52.79, 27 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(4,6-diphenylpyrimidin-2-yl)-3,8-diethyl-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-3,8-dimethyl-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-5-methyl-11-phenylindolo[2,3-a]carbazole;5-[6-[3-methyl-5-(N-phenylanilino)phenyl]-2-(11-phenylindolo[2,3-a]carbazol-12-yl)pyrimidin-4-yl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine is sourced from PubChem (CID 161276109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).