2-benzyl-9,9-dimethylfluorene;7-bromo-3,10-diphenylpyrrolo[3,2-a]carbazole;N-(9,9-dimethylfluoren-2-yl)-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,3-diphenylpyrrolo[3,2-a]carbazol-7-amine

C104H77BrN8 — CID 158409710

IUPAC2-benzyl-9,9-dimethylfluorene;7-bromo-3,10-diphenylpyrrolo[3,2-a]carbazole;N-(9,9-dimethylfluoren-2-yl)-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,3-diphenylpyrrolo[3,2-a]carbazol-7-amine
SMILESBrc1ccc2c(c1)c1ccc3c(ccn3-c3ccccc3)c1n2-c1ccccc1.CC1(C)c2ccccc2-c2ccc(Cc3ccccc3)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)c3ccc5c(ccn5-c5ccccc5)c3n4-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc21
InChIInChI=1S/C56H40N6.C26H17BrN2.C22H20/c1-56(2)48-26-16-15-25-43(48)44-29-27-42(36-49(44)56)61(40-23-13-6-14-24-40)41-28-31-51-47(35-41)45-30-32-50-46(33-34-60(50)39-21-11-5-12-22-39)52(45)62(51)55-58-53(37-17-7-3-8-18-37)57-54(59-55)38-19-9-4-10-20-38;27-18-11-13-25-23(17-18)21-12-14-24-22(15-16-28(24)19-7-3-1-4-8-19)26(21)29(25)20-9-5-2-6-10-20;1-22(2)20-11-7-6-10-18(20)19-13-12-17(15-21(19)22)14-16-8-4-3-5-9-16/h3-36H,1-2H3;1-17H;3-13,15H,14H2,1-2H3
InChIKeyGZDMQTQPFLYQCN-UHFFFAOYSA-N
MW1518.72 g/mol
LogP27.10
Rot. Bonds11

About 2-benzyl-9,9-dimethylfluorene;7-bromo-3,10-diphenylpyrrolo[3,2-a]carbazole;N-(9,9-dimethylfluoren-2-yl)-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,3-diphenylpyrrolo[3,2-a]carbazol-7-amine

2-benzyl-9,9-dimethylfluorene;7-bromo-3,10-diphenylpyrrolo[3,2-a]carbazole;N-(9,9-dimethylfluoren-2-yl)-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,3-diphenylpyrrolo[3,2-a]carbazol-7-amine (PubChem CID 158409710) has the molecular formula C104H77BrN8 and a molecular weight of 1518.72 g/mol. Its IUPAC name is 2-benzyl-9,9-dimethylfluorene;7-bromo-3,10-diphenylpyrrolo[3,2-a]carbazole;N-(9,9-dimethylfluoren-2-yl)-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,3-diphenylpyrrolo[3,2-a]carbazol-7-amine.

Molecular Properties

Compound Name2-benzyl-9,9-dimethylfluorene;7-bromo-3,10-diphenylpyrrolo[3,2-a]carbazole;N-(9,9-dimethylfluoren-2-yl)-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,3-diphenylpyrrolo[3,2-a]carbazol-7-amine
PubChem CID158409710
Molecular FormulaC104H77BrN8
Molecular Weight1518.72 g/mol
Exact Mass1516.55
IUPAC Name2-benzyl-9,9-dimethylfluorene;7-bromo-3,10-diphenylpyrrolo[3,2-a]carbazole;N-(9,9-dimethylfluoren-2-yl)-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,3-diphenylpyrrolo[3,2-a]carbazol-7-amine
SMILESBrc1ccc2c(c1)c1ccc3c(ccn3-c3ccccc3)c1n2-c1ccccc1.CC1(C)c2ccccc2-c2ccc(Cc3ccccc3)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)c3ccc5c(ccn5-c5ccccc5)c3n4-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc21
InChIInChI=1S/C56H40N6.C26H17BrN2.C22H20/c1-56(2)48-26-16-15-25-43(48)44-29-27-42(36-49(44)56)61(40-23-13-6-14-24-40)41-28-31-51-47(35-41)45-30-32-50-46(33-34-60(50)39-21-11-5-12-22-39)52(45)62(51)55-58-53(37-17-7-3-8-18-37)57-54(59-55)38-19-9-4-10-20-38;27-18-11-13-25-23(17-18)21-12-14-24-22(15-16-28(24)19-7-3-1-4-8-19)26(21)29(25)20-9-5-2-6-10-20;1-22(2)20-11-7-6-10-18(20)19-13-12-17(15-21(19)22)14-16-8-4-3-5-9-16/h3-36H,1-2H3;1-17H;3-13,15H,14H2,1-2H3
InChIKeyGZDMQTQPFLYQCN-UHFFFAOYSA-N
XLogP27.10
TPSA61.63 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms113
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001518.72
LogP ≤ 527.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-benzyl-9,9-dimethylfluorene;7-bromo-3,10-diphenylpyrrolo[3,2-a]carbazole;N-(9,9-dimethylfluoren-2-yl)-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,3-diphenylpyrrolo[3,2-a]carbazol-7-amine with MolForge

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Related Compounds

2-[9-[4-(3-Carbazol-9-ylphenyl)pyrimidin-2-yl]carbazol-3-yl]-5-[9-[3-[6-(9,9-dimethylfluoren-2-yl)-2-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]pyrimidin-4-yl]phenyl]carbazol-3-yl]-9-(4-fluorophenyl)carbazole
CID 147165185
9-[4-[2-[4-(3,6-Dibromocarbazol-9-yl)phenyl]-5-(trifluoromethyl)pyrimidin-4-yl]phenyl]-1,3,6,8-tetramethylcarbazole
CID 151205760
2-(3-bromophenyl)-4,6-diphenylpyrimidine;10-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]pyrrolo[3,2-a]carbazole;3-[2-(trifluoromethyl)phenyl]-10H-pyrrolo[3,2-a]carbazole
CID 157722401
2-(3-bromo-5-phenylphenyl)-4,6-diphenyl-1,3,5-triazine;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]-1-(3-methylphenyl)pyrrolo[2,3-a]carbazole;1-[3-(trifluoromethyl)phenyl]-10H-indeno[1,2-g]indole
CID 157949923
5-Bromo-4-fluoro-3,3-dimethyl-1,2-dihydroindene;5-bromo-6-fluoro-3,3-dimethyl-1,2-dihydroindole;3-[2-(3,3-dimethyl-1,2-dihydroinden-5-yl)ethyl]pyridine;3,3-dimethyl-5-[(2-methylimidazol-1-yl)methyl]-6-(trifluoromethyl)-1,2-dihydroindole;3,3,4-trimethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2-dihydroindole;3,3,6-trimethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2-dihydroindole
CID 159504782
N-[4-[7-[3-[5-(4-tert-butyl-N-[3-[7-[3-[5-[naphthalen-1-yl(phenanthren-9-yl)amino]pyrimidin-2-yl]carbazol-9-yl]-9,9-diphenylfluoren-4-yl]naphthalen-1-yl]anilino)pyrimidin-2-yl]carbazol-9-yl]-9,9-diphenylfluoren-4-yl]naphthalen-1-yl]-2-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]-N-(4-fluorophenyl)pyrimidin-5-amine
CID 164021487
9-[3-[9-[3,5-Bis(pyrido[2,3-b]indol-9-yl)phenyl]fluoren-9-yl]-5-pyrido[2,3-b]indol-9-ylphenyl]pyrido[2,3-b]indole
CID 58142001
9-[3-Carbazol-9-yl-5-[6-(4-carbazol-9-ylphenyl)-2-(9,9-dimethylfluoren-2-yl)pyrimidin-4-yl]phenyl]carbazole
CID 58526891
9-[3-Carbazol-9-yl-5-[7-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-9,9-dimethylfluoren-2-yl]phenyl]carbazole
CID 58526903
9-[4-[4-[7-[3-[7-[2,6-Bis(4-carbazol-9-ylphenyl)pyrimidin-4-yl]-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-6-(4-carbazol-9-ylphenyl)pyrimidin-2-yl]phenyl]carbazole
CID 58943686
3-[9,9-Bis(2-methylpropyl)-7-[9-(2-methylpropyl)carbazol-3-yl]fluoren-2-yl]-6-[3-[4-[4-[4-[3-[6-[9,9-bis(2-methylpropyl)-7-[9-(2-methylpropyl)carbazol-3-yl]fluoren-2-yl]-9-(2-methylpropyl)carbazol-3-yl]propyl]phenyl]-6-methyl-1,3,5-triazin-2-yl]phenyl]propyl]-9-(2-methylpropyl)carbazole
CID 59411991
7-Bromo-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-12,12-dimethyl-10,12-dihydro-10-azaindeno[2,1-b]fluorene
CID 66797951

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-9,9-dimethylfluorene;7-bromo-3,10-diphenylpyrrolo[3,2-a]carbazole;N-(9,9-dimethylfluoren-2-yl)-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,3-diphenylpyrrolo[3,2-a]carbazol-7-amine?
The IUPAC name of 2-benzyl-9,9-dimethylfluorene;7-bromo-3,10-diphenylpyrrolo[3,2-a]carbazole;N-(9,9-dimethylfluoren-2-yl)-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,3-diphenylpyrrolo[3,2-a]carbazol-7-amine (CID 158409710) is 2-benzyl-9,9-dimethylfluorene;7-bromo-3,10-diphenylpyrrolo[3,2-a]carbazole;N-(9,9-dimethylfluoren-2-yl)-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,3-diphenylpyrrolo[3,2-a]carbazol-7-amine.
What is the SMILES notation for 2-benzyl-9,9-dimethylfluorene;7-bromo-3,10-diphenylpyrrolo[3,2-a]carbazole;N-(9,9-dimethylfluoren-2-yl)-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,3-diphenylpyrrolo[3,2-a]carbazol-7-amine?
The canonical SMILES for 2-benzyl-9,9-dimethylfluorene;7-bromo-3,10-diphenylpyrrolo[3,2-a]carbazole;N-(9,9-dimethylfluoren-2-yl)-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,3-diphenylpyrrolo[3,2-a]carbazol-7-amine is Brc1ccc2c(c1)c1ccc3c(ccn3-c3ccccc3)c1n2-c1ccccc1.CC1(C)c2ccccc2-c2ccc(Cc3ccccc3)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)c3ccc5c(ccn5-c5ccccc5)c3n4-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc21.
What is the InChIKey of 2-benzyl-9,9-dimethylfluorene;7-bromo-3,10-diphenylpyrrolo[3,2-a]carbazole;N-(9,9-dimethylfluoren-2-yl)-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,3-diphenylpyrrolo[3,2-a]carbazol-7-amine?
The InChIKey is GZDMQTQPFLYQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H40N6.C26H17BrN2.C22H20/c1-56(2)48-26-16-15-25-43(48)44-29-27-42(36-49(44)56)61(40-23-13-6-14-24-40)41-28-31-51-47(35-41)45-30-32-50-46(33-34-60(50)39-21-11-5-12-22-39)52(45)62(51)55-58-53(37-17-7-3-8-18-37)57-54(59-55)38-19-9-4-10-20-38;27-18-11-13-25-23(17-18)21-12-14-24-22(15-16-28(24)19-7-3-1-4-8-19)26(21)29(25)20-9-5-2-6-10-20;1-22(2)20-11-7-6-10-18(20)19-13-12-17(15-21(19)22)14-16-8-4-3-5-9-16/h3-36H,1-2H3;1-17H;3-13,15H,14H2,1-2H3.
What are the key properties of 2-benzyl-9,9-dimethylfluorene;7-bromo-3,10-diphenylpyrrolo[3,2-a]carbazole;N-(9,9-dimethylfluoren-2-yl)-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,3-diphenylpyrrolo[3,2-a]carbazol-7-amine?
2-benzyl-9,9-dimethylfluorene;7-bromo-3,10-diphenylpyrrolo[3,2-a]carbazole;N-(9,9-dimethylfluoren-2-yl)-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,3-diphenylpyrrolo[3,2-a]carbazol-7-amine has a molecular weight of 1518.72 g/mol, XLogP of 27.10, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-9,9-dimethylfluorene;7-bromo-3,10-diphenylpyrrolo[3,2-a]carbazole;N-(9,9-dimethylfluoren-2-yl)-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,3-diphenylpyrrolo[3,2-a]carbazol-7-amine is sourced from PubChem (CID 158409710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).