3-[3-[2-(7,7-dimethyl-11b,12-dihydroindeno[2,1-b]carbazol-5-yl)-6-phenylpyrimidin-4-yl]phenyl]-11-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)-5-phenylindolo[3,2-b]carbazole

C77H55N7 — CID 135303497

IUPAC3-[3-[2-(7,7-dimethyl-11b,12-dihydroindeno[2,1-b]carbazol-5-yl)-6-phenylpyrimidin-4-yl]phenyl]-11-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)-5-phenylindolo[3,2-b]carbazole
SMILESCC1(C)C2=Cc3c(c4ccccc4n3-c3nc(-c4ccccc4)cc(-c4cccc(-c5ccc6c7cc8c(cc7n(-c7ccccc7)c6c5)c5ccccc5n8C5N=C(c6ccccc6)C=C(c6ccccc6)N5)c4)n3)CC2c2ccccc21
InChIInChI=1S/C77H55N7/c1-77(2)63-35-18-15-32-55(63)59-42-60-56-33-16-19-36-69(56)84(74(60)45-64(59)77)76-80-67(50-26-11-5-12-27-50)47-68(81-76)53-29-21-28-51(40-53)52-38-39-58-62-44-73-61(43-72(62)82(71(58)41-52)54-30-13-6-14-31-54)57-34-17-20-37-70(57)83(73)75-78-65(48-22-7-3-8-23-48)46-66(79-75)49-24-9-4-10-25-49/h3-41,43-47,59,75,78H,42H2,1-2H3
InChIKeyAGGMICOMXMCNNW-UHFFFAOYSA-N
MW1078.34 g/mol
LogP18.23
Rot. Bonds8

About 3-[3-[2-(7,7-dimethyl-11b,12-dihydroindeno[2,1-b]carbazol-5-yl)-6-phenylpyrimidin-4-yl]phenyl]-11-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)-5-phenylindolo[3,2-b]carbazole

3-[3-[2-(7,7-dimethyl-11b,12-dihydroindeno[2,1-b]carbazol-5-yl)-6-phenylpyrimidin-4-yl]phenyl]-11-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)-5-phenylindolo[3,2-b]carbazole (PubChem CID 135303497) has the molecular formula C77H55N7 and a molecular weight of 1078.34 g/mol. Its IUPAC name is 3-[3-[2-(7,7-dimethyl-11b,12-dihydroindeno[2,1-b]carbazol-5-yl)-6-phenylpyrimidin-4-yl]phenyl]-11-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)-5-phenylindolo[3,2-b]carbazole.

Molecular Properties

Compound Name3-[3-[2-(7,7-dimethyl-11b,12-dihydroindeno[2,1-b]carbazol-5-yl)-6-phenylpyrimidin-4-yl]phenyl]-11-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)-5-phenylindolo[3,2-b]carbazole
PubChem CID135303497
Molecular FormulaC77H55N7
Molecular Weight1078.34 g/mol
Exact Mass1077.45
IUPAC Name3-[3-[2-(7,7-dimethyl-11b,12-dihydroindeno[2,1-b]carbazol-5-yl)-6-phenylpyrimidin-4-yl]phenyl]-11-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)-5-phenylindolo[3,2-b]carbazole
SMILESCC1(C)C2=Cc3c(c4ccccc4n3-c3nc(-c4ccccc4)cc(-c4cccc(-c5ccc6c7cc8c(cc7n(-c7ccccc7)c6c5)c5ccccc5n8C5N=C(c6ccccc6)C=C(c6ccccc6)N5)c4)n3)CC2c2ccccc21
InChIInChI=1S/C77H55N7/c1-77(2)63-35-18-15-32-55(63)59-42-60-56-33-16-19-36-69(56)84(74(60)45-64(59)77)76-80-67(50-26-11-5-12-27-50)47-68(81-76)53-29-21-28-51(40-53)52-38-39-58-62-44-73-61(43-72(62)82(71(58)41-52)54-30-13-6-14-31-54)57-34-17-20-37-70(57)83(73)75-78-65(48-22-7-3-8-23-48)46-66(79-75)49-24-9-4-10-25-49/h3-41,43-47,59,75,78H,42H2,1-2H3
InChIKeyAGGMICOMXMCNNW-UHFFFAOYSA-N
XLogP18.23
TPSA64.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001078.34
LogP ≤ 518.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[3-[2-(7,7-dimethyl-11b,12-dihydroindeno[2,1-b]carbazol-5-yl)-6-phenylpyrimidin-4-yl]phenyl]-11-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)-5-phenylindolo[3,2-b]carbazole with MolForge

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Related Compounds

3-[3-[2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-6-phenyl-1,2-dihydropyrimidin-4-yl]phenyl]-11-[4-(4-methylcyclohexa-1,5-dien-1-yl)-6-phenylpyrimidin-2-yl]-5-phenylindolo[3,2-b]carbazole
CID 165043045
5-[4-[2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3,4,5,6-tetraphenylphenyl]phenyl]-7,7-dimethyl-2-triphenylen-2-yl-11b,12-dihydroindeno[2,1-b]carbazole
CID 170031644
2-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-5-(4-phenylphenyl)-11b,12-dihydroindeno[2,1-b]carbazole
CID 123831442
2-[9-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole
CID 58511315
2-[3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]phenyl]-7,9-diphenylcarbazole
CID 90182884
9-(4,6-diphenylpyrimidin-2-yl)-2-(9-phenylcarbazol-3-yl)-6-[3-[4-phenyl-6-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 138459281
2-(9-phenylcarbazol-3-yl)-9-[4-phenyl-6-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-2-yl]carbazole
CID 121444219
9-[4-[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-phenylpyrimidin-2-yl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole;9-[4-[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-phenylpyrimidin-2-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 160629026
9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-[9-[4-[3-[6-phenyl-2-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]phenyl]carbazol-3-yl]carbazole
CID 170096012
5-(4,6-diphenylpyrimidin-2-yl)-7,7-dimethyl-2-(9-phenylcarbazol-2-yl)indeno[2,1-b]carbazole
CID 90226957
3-[4-[9-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]carbazol-3-yl]phenyl]-9-phenylcarbazole
CID 90182891
2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 58511118

Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-(7,7-dimethyl-11b,12-dihydroindeno[2,1-b]carbazol-5-yl)-6-phenylpyrimidin-4-yl]phenyl]-11-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)-5-phenylindolo[3,2-b]carbazole?
The IUPAC name of 3-[3-[2-(7,7-dimethyl-11b,12-dihydroindeno[2,1-b]carbazol-5-yl)-6-phenylpyrimidin-4-yl]phenyl]-11-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)-5-phenylindolo[3,2-b]carbazole (CID 135303497) is 3-[3-[2-(7,7-dimethyl-11b,12-dihydroindeno[2,1-b]carbazol-5-yl)-6-phenylpyrimidin-4-yl]phenyl]-11-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)-5-phenylindolo[3,2-b]carbazole.
What is the SMILES notation for 3-[3-[2-(7,7-dimethyl-11b,12-dihydroindeno[2,1-b]carbazol-5-yl)-6-phenylpyrimidin-4-yl]phenyl]-11-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)-5-phenylindolo[3,2-b]carbazole?
The canonical SMILES for 3-[3-[2-(7,7-dimethyl-11b,12-dihydroindeno[2,1-b]carbazol-5-yl)-6-phenylpyrimidin-4-yl]phenyl]-11-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)-5-phenylindolo[3,2-b]carbazole is CC1(C)C2=Cc3c(c4ccccc4n3-c3nc(-c4ccccc4)cc(-c4cccc(-c5ccc6c7cc8c(cc7n(-c7ccccc7)c6c5)c5ccccc5n8C5N=C(c6ccccc6)C=C(c6ccccc6)N5)c4)n3)CC2c2ccccc21.
What is the InChIKey of 3-[3-[2-(7,7-dimethyl-11b,12-dihydroindeno[2,1-b]carbazol-5-yl)-6-phenylpyrimidin-4-yl]phenyl]-11-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)-5-phenylindolo[3,2-b]carbazole?
The InChIKey is AGGMICOMXMCNNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C77H55N7/c1-77(2)63-35-18-15-32-55(63)59-42-60-56-33-16-19-36-69(56)84(74(60)45-64(59)77)76-80-67(50-26-11-5-12-27-50)47-68(81-76)53-29-21-28-51(40-53)52-38-39-58-62-44-73-61(43-72(62)82(71(58)41-52)54-30-13-6-14-31-54)57-34-17-20-37-70(57)83(73)75-78-65(48-22-7-3-8-23-48)46-66(79-75)49-24-9-4-10-25-49/h3-41,43-47,59,75,78H,42H2,1-2H3.
What are the key properties of 3-[3-[2-(7,7-dimethyl-11b,12-dihydroindeno[2,1-b]carbazol-5-yl)-6-phenylpyrimidin-4-yl]phenyl]-11-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)-5-phenylindolo[3,2-b]carbazole?
3-[3-[2-(7,7-dimethyl-11b,12-dihydroindeno[2,1-b]carbazol-5-yl)-6-phenylpyrimidin-4-yl]phenyl]-11-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)-5-phenylindolo[3,2-b]carbazole has a molecular weight of 1078.34 g/mol, XLogP of 18.23, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-(7,7-dimethyl-11b,12-dihydroindeno[2,1-b]carbazol-5-yl)-6-phenylpyrimidin-4-yl]phenyl]-11-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)-5-phenylindolo[3,2-b]carbazole is sourced from PubChem (CID 135303497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).