4,6-bis(3,6-dimethylcarbazol-9-yl)-2,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine;9-[2,5-di(carbazol-9-yl)-4-(3,6-dimethylcarbazol-9-yl)-3,6-bis(2,6-diphenyl-4-pyridinyl)phenyl]-3,6-dimethylcarbazole;9-[2,4-di(carbazol-9-yl)-5-(3,6-dimethylcarbazol-9-yl)-3,6-bis(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-dimethylcarbazole

C270H190N24 — CID 161428756

IUPAC4,6-bis(3,6-dimethylcarbazol-9-yl)-2,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine;9-[2,5-di(carbazol-9-yl)-4-(3,6-dimethylcarbazol-9-yl)-3,6-bis(2,6-diphenyl-4-pyridinyl)phenyl]-3,6-dimethylcarbazole;9-[2,4-di(carbazol-9-yl)-5-(3,6-dimethylcarbazol-9-yl)-3,6-bis(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-dimethylcarbazole
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1c(-c2cc(-c3ccccc3)nc(-c3ccccc3)c2)c(-n2c3ccccc3c3ccccc32)c(-n2c3ccc(C)cc3c3cc(C)ccc32)c(-c2cc(-c3ccccc3)nc(-c3ccccc3)c2)c1-n1c2ccccc2c2ccccc21.Cc1ccc2c(c1)c1cc(C)ccc1n2-c1c(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)c(-n2c3ccc(C)cc3c3cc(C)ccc32)c(-n2c3ccccc3c3ccccc32)c(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)c1-n1c2ccccc2c2ccccc21.Cc1ccc2c(c1)c1cc(C)ccc1n2-c1c(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(-n2c3ccc(C)cc3c3cc(C)ccc32)c(N(c2ccccc2)c2ccccc2)c(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1N(c1ccccc1)c1ccccc1
InChIInChI=1S/C92H64N6.C90H62N8.C88H64N10/c1-57-41-45-83-71(49-57)72-50-58(2)42-46-84(72)97(83)91-87(65-53-75(61-25-9-5-10-26-61)93-76(54-65)62-27-11-6-12-28-62)90(96-81-39-23-19-35-69(81)70-36-20-24-40-82(70)96)92(98-85-47-43-59(3)51-73(85)74-52-60(4)44-48-86(74)98)88(89(91)95-79-37-21-17-33-67(79)68-34-18-22-38-80(68)95)66-55-77(63-29-13-7-14-30-63)94-78(56-66)64-31-15-8-16-32-64;1-55-41-45-79-67(49-55)68-50-56(2)42-46-80(68)97(79)87-84(90-93-73(61-29-13-7-14-30-61)54-74(94-90)62-31-15-8-16-32-62)88(98-81-47-43-57(3)51-69(81)70-52-58(4)44-48-82(70)98)86(96-77-39-23-19-35-65(77)66-36-20-24-40-78(66)96)83(85(87)95-75-37-21-17-33-63(75)64-34-18-22-38-76(64)95)89-91-71(59-25-9-5-10-26-59)53-72(92-89)60-27-11-6-12-28-60;1-57-45-49-73-69(53-57)70-54-58(2)46-50-74(70)97(73)81-78(88-93-85(63-33-17-7-18-34-63)90-86(94-88)64-35-19-8-20-36-64)82(98-75-51-47-59(3)55-71(75)72-56-60(4)48-52-76(72)98)80(96(67-41-25-11-26-42-67)68-43-27-12-28-44-68)77(79(81)95(65-37-21-9-22-38-65)66-39-23-10-24-40-66)87-91-83(61-29-13-5-14-30-61)89-84(92-87)62-31-15-6-16-32-62/h5-56H,1-4H3;5-54H,1-4H3;5-56H,1-4H3
InChIKeyVXSLUMHIZKMGSM-UHFFFAOYSA-N
MW3770.66 g/mol
LogP69.42
Rot. Bonds34

About 4,6-bis(3,6-dimethylcarbazol-9-yl)-2,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine;9-[2,5-di(carbazol-9-yl)-4-(3,6-dimethylcarbazol-9-yl)-3,6-bis(2,6-diphenyl-4-pyridinyl)phenyl]-3,6-dimethylcarbazole;9-[2,4-di(carbazol-9-yl)-5-(3,6-dimethylcarbazol-9-yl)-3,6-bis(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-dimethylcarbazole

4,6-bis(3,6-dimethylcarbazol-9-yl)-2,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine;9-[2,5-di(carbazol-9-yl)-4-(3,6-dimethylcarbazol-9-yl)-3,6-bis(2,6-diphenyl-4-pyridinyl)phenyl]-3,6-dimethylcarbazole;9-[2,4-di(carbazol-9-yl)-5-(3,6-dimethylcarbazol-9-yl)-3,6-bis(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-dimethylcarbazole (PubChem CID 161428756) has the molecular formula C270H190N24 and a molecular weight of 3770.66 g/mol. Its IUPAC name is 4,6-bis(3,6-dimethylcarbazol-9-yl)-2,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine;9-[2,5-di(carbazol-9-yl)-4-(3,6-dimethylcarbazol-9-yl)-3,6-bis(2,6-diphenyl-4-pyridinyl)phenyl]-3,6-dimethylcarbazole;9-[2,4-di(carbazol-9-yl)-5-(3,6-dimethylcarbazol-9-yl)-3,6-bis(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-dimethylcarbazole.

Molecular Properties

Compound Name4,6-bis(3,6-dimethylcarbazol-9-yl)-2,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine;9-[2,5-di(carbazol-9-yl)-4-(3,6-dimethylcarbazol-9-yl)-3,6-bis(2,6-diphenyl-4-pyridinyl)phenyl]-3,6-dimethylcarbazole;9-[2,4-di(carbazol-9-yl)-5-(3,6-dimethylcarbazol-9-yl)-3,6-bis(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-dimethylcarbazole
PubChem CID161428756
Molecular FormulaC270H190N24
Molecular Weight3770.66 g/mol
Exact Mass3767.56
IUPAC Name4,6-bis(3,6-dimethylcarbazol-9-yl)-2,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine;9-[2,5-di(carbazol-9-yl)-4-(3,6-dimethylcarbazol-9-yl)-3,6-bis(2,6-diphenyl-4-pyridinyl)phenyl]-3,6-dimethylcarbazole;9-[2,4-di(carbazol-9-yl)-5-(3,6-dimethylcarbazol-9-yl)-3,6-bis(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-dimethylcarbazole
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1c(-c2cc(-c3ccccc3)nc(-c3ccccc3)c2)c(-n2c3ccccc3c3ccccc32)c(-n2c3ccc(C)cc3c3cc(C)ccc32)c(-c2cc(-c3ccccc3)nc(-c3ccccc3)c2)c1-n1c2ccccc2c2ccccc21.Cc1ccc2c(c1)c1cc(C)ccc1n2-c1c(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)c(-n2c3ccc(C)cc3c3cc(C)ccc32)c(-n2c3ccccc3c3ccccc32)c(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)c1-n1c2ccccc2c2ccccc21.Cc1ccc2c(c1)c1cc(C)ccc1n2-c1c(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(-n2c3ccc(C)cc3c3cc(C)ccc32)c(N(c2ccccc2)c2ccccc2)c(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1N(c1ccccc1)c1ccccc1
InChIInChI=1S/C92H64N6.C90H62N8.C88H64N10/c1-57-41-45-83-71(49-57)72-50-58(2)42-46-84(72)97(83)91-87(65-53-75(61-25-9-5-10-26-61)93-76(54-65)62-27-11-6-12-28-62)90(96-81-39-23-19-35-69(81)70-36-20-24-40-82(70)96)92(98-85-47-43-59(3)51-73(85)74-52-60(4)44-48-86(74)98)88(89(91)95-79-37-21-17-33-67(79)68-34-18-22-38-80(68)95)66-55-77(63-29-13-7-14-30-63)94-78(56-66)64-31-15-8-16-32-64;1-55-41-45-79-67(49-55)68-50-56(2)42-46-80(68)97(79)87-84(90-93-73(61-29-13-7-14-30-61)54-74(94-90)62-31-15-8-16-32-62)88(98-81-47-43-57(3)51-69(81)70-52-58(4)44-48-82(70)98)86(96-77-39-23-19-35-65(77)66-36-20-24-40-78(66)96)83(85(87)95-75-37-21-17-33-63(75)64-34-18-22-38-76(64)95)89-91-71(59-25-9-5-10-26-59)53-72(92-89)60-27-11-6-12-28-60;1-57-45-49-73-69(53-57)70-54-58(2)46-50-74(70)97(73)81-78(88-93-85(63-33-17-7-18-34-63)90-86(94-88)64-35-19-8-20-36-64)82(98-75-51-47-59(3)55-71(75)72-56-60(4)48-52-76(72)98)80(96(67-41-25-11-26-42-67)68-43-27-12-28-44-68)77(79(81)95(65-37-21-9-22-38-65)66-39-23-10-24-40-66)87-91-83(61-29-13-5-14-30-61)89-84(92-87)62-31-15-6-16-32-62/h5-56H,1-4H3;5-54H,1-4H3;5-56H,1-4H3
InChIKeyVXSLUMHIZKMGSM-UHFFFAOYSA-N
XLogP69.42
TPSA210.46 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds34
Heavy Atoms294
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003770.66
LogP ≤ 569.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze 4,6-bis(3,6-dimethylcarbazol-9-yl)-2,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine;9-[2,5-di(carbazol-9-yl)-4-(3,6-dimethylcarbazol-9-yl)-3,6-bis(2,6-diphenyl-4-pyridinyl)phenyl]-3,6-dimethylcarbazole;9-[2,4-di(carbazol-9-yl)-5-(3,6-dimethylcarbazol-9-yl)-3,6-bis(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-dimethylcarbazole with MolForge

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Related Compounds

3,6-dimethyl-9-[2,4,6-tris(3,6-dimethylcarbazol-9-yl)-3,5-bis(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole
CID 146511875
3,6-dimethyl-9-[3,5,6-tri(carbazol-9-yl)-4-(2,6-diphenyl-4-pyridinyl)-2-pyridinyl]carbazole
CID 146512463
3,6-dimethyl-9-[2,4,5-tris(3,6-dimethylcarbazol-9-yl)-3-(2,6-dimethyl-4-pyridinyl)-6-(2,6-diphenyl-4-pyridinyl)phenyl]carbazole
CID 151484643
3-carbazol-9-yl-6-(3,6-dimethylcarbazol-9-yl)-9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazole
CID 126730006
9-[2-(4,6-diphenylpyrimidin-2-yl)-3,4,5-tris(3-methylcarbazol-9-yl)-6-(6-methyl-2-pyridinyl)phenyl]-3-methylcarbazole
CID 151058896
9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-N,N-diphenylcarbazol-3-amine;4-methyl-2,6-diphenylpyrimidine;9-(4-methylphenyl)-N,N-diphenylcarbazol-3-amine
CID 158871700
3,6-dimethyl-9-[2,4,6-tris(3,6-dimethylcarbazol-9-yl)-3-(2,6-diphenylpyrimidin-4-yl)-5-(6-phenyl-2-pyridinyl)phenyl]carbazole
CID 151654422
3,6-dimethyl-9-[2,3,4-tris(3,6-dimethylcarbazol-9-yl)-5-(2,6-dimethyl-4-pyridinyl)-6-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole
CID 151051040
9-[4-[4-[4-[2,6-bis(4-methylphenyl)pyrimidin-4-yl]phenyl]phenyl]phenyl]-3,6-bis(3-methylcarbazol-9-yl)carbazole
CID 126730044
9-[4-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-dimethylphenyl]phenyl]-N,N-diphenylcarbazol-3-amine
CID 126730632
9-[3,5-bis(2,6-diphenylpyrimidin-4-yl)-2,6-bis(3-methylcarbazol-9-yl)phenyl]-2-(6-phenyl-2-pyridinyl)carbazole
CID 142508102
9-[4-[4-[2,6-bis(3-methylphenyl)pyrimidin-4-yl]phenyl]-2,6-dimethylphenyl]-N,N-diphenylcarbazol-3-amine
CID 126730668

Frequently Asked Questions

What is the IUPAC name of 4,6-bis(3,6-dimethylcarbazol-9-yl)-2,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine;9-[2,5-di(carbazol-9-yl)-4-(3,6-dimethylcarbazol-9-yl)-3,6-bis(2,6-diphenyl-4-pyridinyl)phenyl]-3,6-dimethylcarbazole;9-[2,4-di(carbazol-9-yl)-5-(3,6-dimethylcarbazol-9-yl)-3,6-bis(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-dimethylcarbazole?
The IUPAC name of 4,6-bis(3,6-dimethylcarbazol-9-yl)-2,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine;9-[2,5-di(carbazol-9-yl)-4-(3,6-dimethylcarbazol-9-yl)-3,6-bis(2,6-diphenyl-4-pyridinyl)phenyl]-3,6-dimethylcarbazole;9-[2,4-di(carbazol-9-yl)-5-(3,6-dimethylcarbazol-9-yl)-3,6-bis(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-dimethylcarbazole (CID 161428756) is 4,6-bis(3,6-dimethylcarbazol-9-yl)-2,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine;9-[2,5-di(carbazol-9-yl)-4-(3,6-dimethylcarbazol-9-yl)-3,6-bis(2,6-diphenyl-4-pyridinyl)phenyl]-3,6-dimethylcarbazole;9-[2,4-di(carbazol-9-yl)-5-(3,6-dimethylcarbazol-9-yl)-3,6-bis(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-dimethylcarbazole.
What is the SMILES notation for 4,6-bis(3,6-dimethylcarbazol-9-yl)-2,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine;9-[2,5-di(carbazol-9-yl)-4-(3,6-dimethylcarbazol-9-yl)-3,6-bis(2,6-diphenyl-4-pyridinyl)phenyl]-3,6-dimethylcarbazole;9-[2,4-di(carbazol-9-yl)-5-(3,6-dimethylcarbazol-9-yl)-3,6-bis(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-dimethylcarbazole?
The canonical SMILES for 4,6-bis(3,6-dimethylcarbazol-9-yl)-2,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine;9-[2,5-di(carbazol-9-yl)-4-(3,6-dimethylcarbazol-9-yl)-3,6-bis(2,6-diphenyl-4-pyridinyl)phenyl]-3,6-dimethylcarbazole;9-[2,4-di(carbazol-9-yl)-5-(3,6-dimethylcarbazol-9-yl)-3,6-bis(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-dimethylcarbazole is Cc1ccc2c(c1)c1cc(C)ccc1n2-c1c(-c2cc(-c3ccccc3)nc(-c3ccccc3)c2)c(-n2c3ccccc3c3ccccc32)c(-n2c3ccc(C)cc3c3cc(C)ccc32)c(-c2cc(-c3ccccc3)nc(-c3ccccc3)c2)c1-n1c2ccccc2c2ccccc21.Cc1ccc2c(c1)c1cc(C)ccc1n2-c1c(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)c(-n2c3ccc(C)cc3c3cc(C)ccc32)c(-n2c3ccccc3c3ccccc32)c(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)c1-n1c2ccccc2c2ccccc21.Cc1ccc2c(c1)c1cc(C)ccc1n2-c1c(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(-n2c3ccc(C)cc3c3cc(C)ccc32)c(N(c2ccccc2)c2ccccc2)c(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1N(c1ccccc1)c1ccccc1.
What is the InChIKey of 4,6-bis(3,6-dimethylcarbazol-9-yl)-2,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine;9-[2,5-di(carbazol-9-yl)-4-(3,6-dimethylcarbazol-9-yl)-3,6-bis(2,6-diphenyl-4-pyridinyl)phenyl]-3,6-dimethylcarbazole;9-[2,4-di(carbazol-9-yl)-5-(3,6-dimethylcarbazol-9-yl)-3,6-bis(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-dimethylcarbazole?
The InChIKey is VXSLUMHIZKMGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C92H64N6.C90H62N8.C88H64N10/c1-57-41-45-83-71(49-57)72-50-58(2)42-46-84(72)97(83)91-87(65-53-75(61-25-9-5-10-26-61)93-76(54-65)62-27-11-6-12-28-62)90(96-81-39-23-19-35-69(81)70-36-20-24-40-82(70)96)92(98-85-47-43-59(3)51-73(85)74-52-60(4)44-48-86(74)98)88(89(91)95-79-37-21-17-33-67(79)68-34-18-22-38-80(68)95)66-55-77(63-29-13-7-14-30-63)94-78(56-66)64-31-15-8-16-32-64;1-55-41-45-79-67(49-55)68-50-56(2)42-46-80(68)97(79)87-84(90-93-73(61-29-13-7-14-30-61)54-74(94-90)62-31-15-8-16-32-62)88(98-81-47-43-57(3)51-69(81)70-52-58(4)44-48-82(70)98)86(96-77-39-23-19-35-65(77)66-36-20-24-40-78(66)96)83(85(87)95-75-37-21-17-33-63(75)64-34-18-22-38-76(64)95)89-91-71(59-25-9-5-10-26-59)53-72(92-89)60-27-11-6-12-28-60;1-57-45-49-73-69(53-57)70-54-58(2)46-50-74(70)97(73)81-78(88-93-85(63-33-17-7-18-34-63)90-86(94-88)64-35-19-8-20-36-64)82(98-75-51-47-59(3)55-71(75)72-56-60(4)48-52-76(72)98)80(96(67-41-25-11-26-42-67)68-43-27-12-28-44-68)77(79(81)95(65-37-21-9-22-38-65)66-39-23-10-24-40-66)87-91-83(61-29-13-5-14-30-61)89-84(92-87)62-31-15-6-16-32-62/h5-56H,1-4H3;5-54H,1-4H3;5-56H,1-4H3.
What are the key properties of 4,6-bis(3,6-dimethylcarbazol-9-yl)-2,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine;9-[2,5-di(carbazol-9-yl)-4-(3,6-dimethylcarbazol-9-yl)-3,6-bis(2,6-diphenyl-4-pyridinyl)phenyl]-3,6-dimethylcarbazole;9-[2,4-di(carbazol-9-yl)-5-(3,6-dimethylcarbazol-9-yl)-3,6-bis(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-dimethylcarbazole?
4,6-bis(3,6-dimethylcarbazol-9-yl)-2,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine;9-[2,5-di(carbazol-9-yl)-4-(3,6-dimethylcarbazol-9-yl)-3,6-bis(2,6-diphenyl-4-pyridinyl)phenyl]-3,6-dimethylcarbazole;9-[2,4-di(carbazol-9-yl)-5-(3,6-dimethylcarbazol-9-yl)-3,6-bis(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-dimethylcarbazole has a molecular weight of 3770.66 g/mol, XLogP of 69.42, 34 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(3,6-dimethylcarbazol-9-yl)-2,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine;9-[2,5-di(carbazol-9-yl)-4-(3,6-dimethylcarbazol-9-yl)-3,6-bis(2,6-diphenyl-4-pyridinyl)phenyl]-3,6-dimethylcarbazole;9-[2,4-di(carbazol-9-yl)-5-(3,6-dimethylcarbazol-9-yl)-3,6-bis(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-dimethylcarbazole is sourced from PubChem (CID 161428756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).