9-bromo-3,6-diphenylpyrrolo[2,3-c]carbazole;N-(9,9-dimethylfluoren-2-yl)-3,6-diphenyl-N-(4-phenylphenyl)pyrrolo[2,3-c]carbazol-9-amine;9,9-dimethyl-2-[(4-phenylphenyl)methyl]fluorene

C107H80BrN5 — CID 162159985

IUPAC9-bromo-3,6-diphenylpyrrolo[2,3-c]carbazole;N-(9,9-dimethylfluoren-2-yl)-3,6-diphenyl-N-(4-phenylphenyl)pyrrolo[2,3-c]carbazol-9-amine;9,9-dimethyl-2-[(4-phenylphenyl)methyl]fluorene
SMILESBrc1ccc2c(c1)c1c3ccn(-c4ccccc4)c3ccc1n2-c1ccccc1.CC1(C)c2ccccc2-c2ccc(Cc3ccc(-c4ccccc4)cc3)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)c3c5ccn(-c6ccccc6)c5ccc3n4-c3ccccc3)cc21
InChIInChI=1S/C53H39N3.C28H24.C26H17BrN2/c1-53(2)47-21-13-12-20-43(47)44-28-26-42(35-48(44)53)55(40-24-22-37(23-25-40)36-14-6-3-7-15-36)41-27-29-50-46(34-41)52-45-32-33-54(38-16-8-4-9-17-38)49(45)30-31-51(52)56(50)39-18-10-5-11-19-39;1-28(2)26-11-7-6-10-24(26)25-17-14-21(19-27(25)28)18-20-12-15-23(16-13-20)22-8-4-3-5-9-22;27-18-11-12-24-22(17-18)26-21-15-16-28(19-7-3-1-4-8-19)23(21)13-14-25(26)29(24)20-9-5-2-6-10-20/h3-35H,1-2H3;3-17,19H,18H2,1-2H3;1-17H
InChIKeyZMIPCMXGXZNVIJ-UHFFFAOYSA-N
MW1515.76 g/mol
LogP28.91
Rot. Bonds11

About 9-bromo-3,6-diphenylpyrrolo[2,3-c]carbazole;N-(9,9-dimethylfluoren-2-yl)-3,6-diphenyl-N-(4-phenylphenyl)pyrrolo[2,3-c]carbazol-9-amine;9,9-dimethyl-2-[(4-phenylphenyl)methyl]fluorene

9-bromo-3,6-diphenylpyrrolo[2,3-c]carbazole;N-(9,9-dimethylfluoren-2-yl)-3,6-diphenyl-N-(4-phenylphenyl)pyrrolo[2,3-c]carbazol-9-amine;9,9-dimethyl-2-[(4-phenylphenyl)methyl]fluorene (PubChem CID 162159985) has the molecular formula C107H80BrN5 and a molecular weight of 1515.76 g/mol. Its IUPAC name is 9-bromo-3,6-diphenylpyrrolo[2,3-c]carbazole;N-(9,9-dimethylfluoren-2-yl)-3,6-diphenyl-N-(4-phenylphenyl)pyrrolo[2,3-c]carbazol-9-amine;9,9-dimethyl-2-[(4-phenylphenyl)methyl]fluorene.

Molecular Properties

Compound Name9-bromo-3,6-diphenylpyrrolo[2,3-c]carbazole;N-(9,9-dimethylfluoren-2-yl)-3,6-diphenyl-N-(4-phenylphenyl)pyrrolo[2,3-c]carbazol-9-amine;9,9-dimethyl-2-[(4-phenylphenyl)methyl]fluorene
PubChem CID162159985
Molecular FormulaC107H80BrN5
Molecular Weight1515.76 g/mol
Exact Mass1513.56
IUPAC Name9-bromo-3,6-diphenylpyrrolo[2,3-c]carbazole;N-(9,9-dimethylfluoren-2-yl)-3,6-diphenyl-N-(4-phenylphenyl)pyrrolo[2,3-c]carbazol-9-amine;9,9-dimethyl-2-[(4-phenylphenyl)methyl]fluorene
SMILESBrc1ccc2c(c1)c1c3ccn(-c4ccccc4)c3ccc1n2-c1ccccc1.CC1(C)c2ccccc2-c2ccc(Cc3ccc(-c4ccccc4)cc3)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)c3c5ccn(-c6ccccc6)c5ccc3n4-c3ccccc3)cc21
InChIInChI=1S/C53H39N3.C28H24.C26H17BrN2/c1-53(2)47-21-13-12-20-43(47)44-28-26-42(35-48(44)53)55(40-24-22-37(23-25-40)36-14-6-3-7-15-36)41-27-29-50-46(34-41)52-45-32-33-54(38-16-8-4-9-17-38)49(45)30-31-51(52)56(50)39-18-10-5-11-19-39;1-28(2)26-11-7-6-10-24(26)25-17-14-21(19-27(25)28)18-20-12-15-23(16-13-20)22-8-4-3-5-9-22;27-18-11-12-24-22(17-18)26-21-15-16-28(19-7-3-1-4-8-19)23(21)13-14-25(26)29(24)20-9-5-2-6-10-20/h3-35H,1-2H3;3-17,19H,18H2,1-2H3;1-17H
InChIKeyZMIPCMXGXZNVIJ-UHFFFAOYSA-N
XLogP28.91
TPSA22.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms113
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001515.76
LogP ≤ 528.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9-bromo-3,6-diphenylpyrrolo[2,3-c]carbazole;N-(9,9-dimethylfluoren-2-yl)-3,6-diphenyl-N-(4-phenylphenyl)pyrrolo[2,3-c]carbazol-9-amine;9,9-dimethyl-2-[(4-phenylphenyl)methyl]fluorene with MolForge

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Related Compounds

acetylene;3-(3-bromophenyl)-9-phenylcarbazole;9,9-dimethyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-2-[(4-phenylphenyl)methyl]fluorene
CID 162062710
N-[4-(3,6-diphenylpyrrolo[2,3-c]carbazol-9-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 90060969
N-[4-(14,19-diphenyl-3,14,19-triazahexacyclo[11.10.0.02,10.04,9.015,23.016,20]tricosa-1(13),2(10),4,6,8,11,15(23),16(20),17,21-decaen-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 90267330
N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-5-phenyl-N-(4-phenylphenyl)indeno[2,1-b]carbazol-2-amine
CID 66798022
CID 158505950
CID 158505950
6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-3-phenylpyrrolo[2,3-c]carbazole
CID 118316130
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-[4-(7-phenylbenzo[c]carbazol-10-yl)phenyl]fluoren-2-amine
CID 70853904
9,9-dimethyl-N-[4-[4-(7-phenylbenzo[c]carbazol-10-yl)phenyl]phenyl]-N-(3-phenylphenyl)fluoren-2-amine
CID 156513111
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;propane
CID 145262951
N,N-bis(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-3-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-3-amine;N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 158241531
4-[4-[N-(9,9-dimethylfluoren-2-yl)-4-[6-[6-[4-[N-(9,9-dimethylfluoren-2-yl)-4-(4-formylphenyl)anilino]phenyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]anilino]phenyl]benzaldehyde
CID 90164145
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 159828144

Frequently Asked Questions

What is the IUPAC name of 9-bromo-3,6-diphenylpyrrolo[2,3-c]carbazole;N-(9,9-dimethylfluoren-2-yl)-3,6-diphenyl-N-(4-phenylphenyl)pyrrolo[2,3-c]carbazol-9-amine;9,9-dimethyl-2-[(4-phenylphenyl)methyl]fluorene?
The IUPAC name of 9-bromo-3,6-diphenylpyrrolo[2,3-c]carbazole;N-(9,9-dimethylfluoren-2-yl)-3,6-diphenyl-N-(4-phenylphenyl)pyrrolo[2,3-c]carbazol-9-amine;9,9-dimethyl-2-[(4-phenylphenyl)methyl]fluorene (CID 162159985) is 9-bromo-3,6-diphenylpyrrolo[2,3-c]carbazole;N-(9,9-dimethylfluoren-2-yl)-3,6-diphenyl-N-(4-phenylphenyl)pyrrolo[2,3-c]carbazol-9-amine;9,9-dimethyl-2-[(4-phenylphenyl)methyl]fluorene.
What is the SMILES notation for 9-bromo-3,6-diphenylpyrrolo[2,3-c]carbazole;N-(9,9-dimethylfluoren-2-yl)-3,6-diphenyl-N-(4-phenylphenyl)pyrrolo[2,3-c]carbazol-9-amine;9,9-dimethyl-2-[(4-phenylphenyl)methyl]fluorene?
The canonical SMILES for 9-bromo-3,6-diphenylpyrrolo[2,3-c]carbazole;N-(9,9-dimethylfluoren-2-yl)-3,6-diphenyl-N-(4-phenylphenyl)pyrrolo[2,3-c]carbazol-9-amine;9,9-dimethyl-2-[(4-phenylphenyl)methyl]fluorene is Brc1ccc2c(c1)c1c3ccn(-c4ccccc4)c3ccc1n2-c1ccccc1.CC1(C)c2ccccc2-c2ccc(Cc3ccc(-c4ccccc4)cc3)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)c3c5ccn(-c6ccccc6)c5ccc3n4-c3ccccc3)cc21.
What is the InChIKey of 9-bromo-3,6-diphenylpyrrolo[2,3-c]carbazole;N-(9,9-dimethylfluoren-2-yl)-3,6-diphenyl-N-(4-phenylphenyl)pyrrolo[2,3-c]carbazol-9-amine;9,9-dimethyl-2-[(4-phenylphenyl)methyl]fluorene?
The InChIKey is ZMIPCMXGXZNVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H39N3.C28H24.C26H17BrN2/c1-53(2)47-21-13-12-20-43(47)44-28-26-42(35-48(44)53)55(40-24-22-37(23-25-40)36-14-6-3-7-15-36)41-27-29-50-46(34-41)52-45-32-33-54(38-16-8-4-9-17-38)49(45)30-31-51(52)56(50)39-18-10-5-11-19-39;1-28(2)26-11-7-6-10-24(26)25-17-14-21(19-27(25)28)18-20-12-15-23(16-13-20)22-8-4-3-5-9-22;27-18-11-12-24-22(17-18)26-21-15-16-28(19-7-3-1-4-8-19)23(21)13-14-25(26)29(24)20-9-5-2-6-10-20/h3-35H,1-2H3;3-17,19H,18H2,1-2H3;1-17H.
What are the key properties of 9-bromo-3,6-diphenylpyrrolo[2,3-c]carbazole;N-(9,9-dimethylfluoren-2-yl)-3,6-diphenyl-N-(4-phenylphenyl)pyrrolo[2,3-c]carbazol-9-amine;9,9-dimethyl-2-[(4-phenylphenyl)methyl]fluorene?
9-bromo-3,6-diphenylpyrrolo[2,3-c]carbazole;N-(9,9-dimethylfluoren-2-yl)-3,6-diphenyl-N-(4-phenylphenyl)pyrrolo[2,3-c]carbazol-9-amine;9,9-dimethyl-2-[(4-phenylphenyl)methyl]fluorene has a molecular weight of 1515.76 g/mol, XLogP of 28.91, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-3,6-diphenylpyrrolo[2,3-c]carbazole;N-(9,9-dimethylfluoren-2-yl)-3,6-diphenyl-N-(4-phenylphenyl)pyrrolo[2,3-c]carbazol-9-amine;9,9-dimethyl-2-[(4-phenylphenyl)methyl]fluorene is sourced from PubChem (CID 162159985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).