9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N,N-bis[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]carbazol-3-amine;9-[4-(3-phenyl-1H-benzimidazol-3-ium-2-yl)phenyl]-N,N-bis[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]carbazol-3-amine

C192H124N23+ — CID 160899710

IUPAC9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N,N-bis[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]carbazol-3-amine;9-[4-(3-phenyl-1H-benzimidazol-3-ium-2-yl)phenyl]-N,N-bis[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]carbazol-3-amine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3-n3c4ccccc4c4cc(N(c5ccc6c(c5)c5ccccc5n6-c5ccccc5-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c5ccc6c(c5)c5ccccc5n6-c5ccccc5-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc43)n2)cc1.c1ccc(-n2c(-c3ccc(-n4c5ccccc5c5cc(N(c6ccc7c(c6)c6ccccc6n7-c6ccc(-c7nc8ccccc8n7-c7ccccc7)cc6)c6ccc7c(c6)c6ccccc6n7-c6ccc(-c7[nH]c8ccccc8[n+]7-c7ccccc7)cc6)ccc54)cc3)nc3ccccc32)cc1
InChIInChI=1S/C99H63N13.C93H60N10/c1-7-31-64(32-8-1)91-100-92(65-33-9-2-10-34-65)104-97(103-91)76-46-22-28-52-85(76)110-82-49-25-19-43-73(82)79-61-70(55-58-88(79)110)109(71-56-59-89-80(62-71)74-44-20-26-50-83(74)111(89)86-53-29-23-47-77(86)98-105-93(66-35-11-3-12-36-66)101-94(106-98)67-37-13-4-14-38-67)72-57-60-90-81(63-72)75-45-21-27-51-84(75)112(90)87-54-30-24-48-78(87)99-107-95(68-39-15-5-16-40-68)102-96(108-99)69-41-17-6-18-42-69;1-4-22-64(23-5-1)101-88-37-19-13-31-79(88)94-91(101)61-40-46-67(47-41-61)98-82-34-16-10-28-73(82)76-58-70(52-55-85(76)98)97(71-53-56-86-77(59-71)74-29-11-17-35-83(74)99(86)68-48-42-62(43-49-68)92-95-80-32-14-20-38-89(80)102(92)65-24-6-2-7-25-65)72-54-57-87-78(60-72)75-30-12-18-36-84(75)100(87)69-50-44-63(45-51-69)93-96-81-33-15-21-39-90(81)103(93)66-26-8-3-9-27-66/h1-63H;1-60H/p+1
InChIKeyVUCXTILEVBGJBV-UHFFFAOYSA-O
MW2753.26 g/mol
LogP46.89
Rot. Bonds27

About 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N,N-bis[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]carbazol-3-amine;9-[4-(3-phenyl-1H-benzimidazol-3-ium-2-yl)phenyl]-N,N-bis[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]carbazol-3-amine

9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N,N-bis[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]carbazol-3-amine;9-[4-(3-phenyl-1H-benzimidazol-3-ium-2-yl)phenyl]-N,N-bis[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]carbazol-3-amine (PubChem CID 160899710) has the molecular formula C192H124N23+ and a molecular weight of 2753.26 g/mol. Its IUPAC name is 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N,N-bis[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]carbazol-3-amine;9-[4-(3-phenyl-1H-benzimidazol-3-ium-2-yl)phenyl]-N,N-bis[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]carbazol-3-amine.

Molecular Properties

Compound Name9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N,N-bis[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]carbazol-3-amine;9-[4-(3-phenyl-1H-benzimidazol-3-ium-2-yl)phenyl]-N,N-bis[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]carbazol-3-amine
PubChem CID160899710
Molecular FormulaC192H124N23+
Molecular Weight2753.26 g/mol
Exact Mass2751.04
IUPAC Name9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N,N-bis[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]carbazol-3-amine;9-[4-(3-phenyl-1H-benzimidazol-3-ium-2-yl)phenyl]-N,N-bis[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]carbazol-3-amine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3-n3c4ccccc4c4cc(N(c5ccc6c(c5)c5ccccc5n6-c5ccccc5-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c5ccc6c(c5)c5ccccc5n6-c5ccccc5-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc43)n2)cc1.c1ccc(-n2c(-c3ccc(-n4c5ccccc5c5cc(N(c6ccc7c(c6)c6ccccc6n7-c6ccc(-c7nc8ccccc8n7-c7ccccc7)cc6)c6ccc7c(c6)c6ccccc6n7-c6ccc(-c7[nH]c8ccccc8[n+]7-c7ccccc7)cc6)ccc54)cc3)nc3ccccc32)cc1
InChIInChI=1S/C99H63N13.C93H60N10/c1-7-31-64(32-8-1)91-100-92(65-33-9-2-10-34-65)104-97(103-91)76-46-22-28-52-85(76)110-82-49-25-19-43-73(82)79-61-70(55-58-88(79)110)109(71-56-59-89-80(62-71)74-44-20-26-50-83(74)111(89)86-53-29-23-47-77(86)98-105-93(66-35-11-3-12-36-66)101-94(106-98)67-37-13-4-14-38-67)72-57-60-90-81(63-72)75-45-21-27-51-84(75)112(90)87-54-30-24-48-78(87)99-107-95(68-39-15-5-16-40-68)102-96(108-99)69-41-17-6-18-42-69;1-4-22-64(23-5-1)101-88-37-19-13-31-79(88)94-91(101)61-40-46-67(47-41-61)98-82-34-16-10-28-73(82)76-58-70(52-55-85(76)98)97(71-53-56-86-77(59-71)74-29-11-17-35-83(74)99(86)68-48-42-62(43-49-68)92-95-80-32-14-20-38-89(80)102(92)65-24-6-2-7-25-65)72-54-57-87-78(60-72)75-30-12-18-36-84(75)100(87)69-50-44-63(45-51-69)93-96-81-33-15-21-39-90(81)103(93)66-26-8-3-9-27-66/h1-63H;1-60H/p+1
InChIKeyVUCXTILEVBGJBV-UHFFFAOYSA-O
XLogP46.89
TPSA207.38 Ų
H-Bond Donors1
H-Bond Acceptors21
Rotatable Bonds27
Heavy Atoms215
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002753.26
LogP ≤ 546.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

9-phenyl-3-[4-(2-phenyl-3H-benzimidazol-1-ium-1-yl)phenyl]-6-[4-(2-phenylbenzimidazol-1-yl)phenyl]carbazole
CID 164809361
1-[4-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]-2-[4-(3-phenyl-1H-benzimidazol-3-ium-2-yl)phenyl]benzimidazole;1-[4-[4,6-di(phenanthren-9-yl)pyrimidin-2-yl]phenyl]-2-[4-(3-phenyl-1H-benzimidazol-3-ium-2-yl)phenyl]benzimidazole;1-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-[4-(3-phenyl-1H-benzimidazol-3-ium-2-yl)phenyl]benzimidazole
CID 159153433
N,9-diphenyl-N-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-amine
CID 59500875
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine
CID 164936474
2-[3-(1H-benzimidazol-2-yl)-5-(3-phenyl-1H-benzimidazol-3-ium-2-yl)phenyl]-1-phenylbenzimidazole
CID 58568859
9-(4-naphthalen-2-ylphenyl)-N-phenyl-N-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-amine
CID 59500896
5-[2-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 146621947
N-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenyl-N-(9-phenylcarbazol-3-yl)carbazol-3-amine
CID 134472395
11-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-b]carbazole;ethane
CID 144644723
4-methyl-N-[4-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-6-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-N-(4-methylphenyl)aniline
CID 163796534
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-(9-phenylcarbazol-2-yl)benzo[a]carbazole;16-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1-phenylbenzimidazole
CID 159181960
2-N-(2,3-diphenylbenzimidazol-5-yl)-2-N,7-N-dinaphthalen-2-yl-7-N-(9-phenylcarbazol-3-yl)phenanthrene-2,7-diamine
CID 171736333

Frequently Asked Questions

What is the IUPAC name of 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N,N-bis[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]carbazol-3-amine;9-[4-(3-phenyl-1H-benzimidazol-3-ium-2-yl)phenyl]-N,N-bis[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]carbazol-3-amine?
The IUPAC name of 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N,N-bis[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]carbazol-3-amine;9-[4-(3-phenyl-1H-benzimidazol-3-ium-2-yl)phenyl]-N,N-bis[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]carbazol-3-amine (CID 160899710) is 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N,N-bis[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]carbazol-3-amine;9-[4-(3-phenyl-1H-benzimidazol-3-ium-2-yl)phenyl]-N,N-bis[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]carbazol-3-amine.
What is the SMILES notation for 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N,N-bis[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]carbazol-3-amine;9-[4-(3-phenyl-1H-benzimidazol-3-ium-2-yl)phenyl]-N,N-bis[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]carbazol-3-amine?
The canonical SMILES for 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N,N-bis[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]carbazol-3-amine;9-[4-(3-phenyl-1H-benzimidazol-3-ium-2-yl)phenyl]-N,N-bis[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]carbazol-3-amine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3-n3c4ccccc4c4cc(N(c5ccc6c(c5)c5ccccc5n6-c5ccccc5-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c5ccc6c(c5)c5ccccc5n6-c5ccccc5-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc43)n2)cc1.c1ccc(-n2c(-c3ccc(-n4c5ccccc5c5cc(N(c6ccc7c(c6)c6ccccc6n7-c6ccc(-c7nc8ccccc8n7-c7ccccc7)cc6)c6ccc7c(c6)c6ccccc6n7-c6ccc(-c7[nH]c8ccccc8[n+]7-c7ccccc7)cc6)ccc54)cc3)nc3ccccc32)cc1.
What is the InChIKey of 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N,N-bis[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]carbazol-3-amine;9-[4-(3-phenyl-1H-benzimidazol-3-ium-2-yl)phenyl]-N,N-bis[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]carbazol-3-amine?
The InChIKey is VUCXTILEVBGJBV-UHFFFAOYSA-O. The full InChI is InChI=1S/C99H63N13.C93H60N10/c1-7-31-64(32-8-1)91-100-92(65-33-9-2-10-34-65)104-97(103-91)76-46-22-28-52-85(76)110-82-49-25-19-43-73(82)79-61-70(55-58-88(79)110)109(71-56-59-89-80(62-71)74-44-20-26-50-83(74)111(89)86-53-29-23-47-77(86)98-105-93(66-35-11-3-12-36-66)101-94(106-98)67-37-13-4-14-38-67)72-57-60-90-81(63-72)75-45-21-27-51-84(75)112(90)87-54-30-24-48-78(87)99-107-95(68-39-15-5-16-40-68)102-96(108-99)69-41-17-6-18-42-69;1-4-22-64(23-5-1)101-88-37-19-13-31-79(88)94-91(101)61-40-46-67(47-41-61)98-82-34-16-10-28-73(82)76-58-70(52-55-85(76)98)97(71-53-56-86-77(59-71)74-29-11-17-35-83(74)99(86)68-48-42-62(43-49-68)92-95-80-32-14-20-38-89(80)102(92)65-24-6-2-7-25-65)72-54-57-87-78(60-72)75-30-12-18-36-84(75)100(87)69-50-44-63(45-51-69)93-96-81-33-15-21-39-90(81)103(93)66-26-8-3-9-27-66/h1-63H;1-60H/p+1.
What are the key properties of 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N,N-bis[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]carbazol-3-amine;9-[4-(3-phenyl-1H-benzimidazol-3-ium-2-yl)phenyl]-N,N-bis[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]carbazol-3-amine?
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N,N-bis[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]carbazol-3-amine;9-[4-(3-phenyl-1H-benzimidazol-3-ium-2-yl)phenyl]-N,N-bis[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]carbazol-3-amine has a molecular weight of 2753.26 g/mol, XLogP of 46.89, 27 rotatable bonds, 1 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N,N-bis[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]carbazol-3-amine;9-[4-(3-phenyl-1H-benzimidazol-3-ium-2-yl)phenyl]-N,N-bis[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]carbazol-3-amine is sourced from PubChem (CID 160899710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).