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

C105H80BrN3 — CID 162062710

IUPACacetylene;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
SMILESBrc1cccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c1.C#C.CC1(C)c2ccccc2-c2ccc(Cc3ccc(-c4ccccc4)cc3)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c3)cc21
InChIInChI=1S/C51H38N2.C28H24.C24H16BrN.C2H2/c1-51(2)47-22-11-9-20-43(47)44-30-29-42(34-48(44)51)52(40-27-24-36(25-28-40)35-14-5-3-6-15-35)41-19-13-16-37(32-41)38-26-31-50-46(33-38)45-21-10-12-23-49(45)53(50)39-17-7-4-8-18-39;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;25-19-8-6-7-17(15-19)18-13-14-24-22(16-18)21-11-4-5-12-23(21)26(24)20-9-2-1-3-10-20;1-2/h3-34H,1-2H3;3-17,19H,18H2,1-2H3;1-16H;1-2H
InChIKeyZABABZIXTVWIFK-UHFFFAOYSA-N
MW1463.72 g/mol
LogP28.61
Rot. Bonds11

About 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

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 (PubChem CID 162062710) has the molecular formula C105H80BrN3 and a molecular weight of 1463.72 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nameacetylene;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
PubChem CID162062710
Molecular FormulaC105H80BrN3
Molecular Weight1463.72 g/mol
Exact Mass1461.55
IUPAC Nameacetylene;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
SMILESBrc1cccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c1.C#C.CC1(C)c2ccccc2-c2ccc(Cc3ccc(-c4ccccc4)cc3)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c3)cc21
InChIInChI=1S/C51H38N2.C28H24.C24H16BrN.C2H2/c1-51(2)47-22-11-9-20-43(47)44-30-29-42(34-48(44)51)52(40-27-24-36(25-28-40)35-14-5-3-6-15-35)41-19-13-16-37(32-41)38-26-31-50-46(33-38)45-21-10-12-23-49(45)53(50)39-17-7-4-8-18-39;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;25-19-8-6-7-17(15-19)18-13-14-24-22(16-18)21-11-4-5-12-23(21)26(24)20-9-2-1-3-10-20;1-2/h3-34H,1-2H3;3-17,19H,18H2,1-2H3;1-16H;1-2H
InChIKeyZABABZIXTVWIFK-UHFFFAOYSA-N
XLogP28.61
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms109
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001463.72
LogP ≤ 528.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(3-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine
CID 159095793
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)-N-(3-phenylphenyl)fluoren-2-amine
CID 59171718
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
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;propane
CID 145262951
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[9-[3-[9-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]carbazol-3-yl]phenyl]carbazol-3-yl]phenyl]fluoren-2-amine
CID 167287563
4-N-(9,9-dimethylfluoren-2-yl)-1-N-[4-(5,11-diphenylindolo[3,2-b]carbazol-2-yl)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 163439263
N-[4-[4-(5,11-diphenylindolo[3,2-b]carbazol-2-yl)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 58454141
1-N,3-N-bis(9,9-dimethylfluoren-2-yl)-1-N,3-N-diphenyl-5-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-diamine
CID 87174603
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]fluoren-2-amine;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]-N-(3-phenylphenyl)fluoren-2-amine
CID 162059824
3-[4-[(9,9-dimethylfluoren-2-yl)methyl]phenyl]-9-phenylcarbazole;1-methyl-4-phenylbenzene
CID 144810243
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[3-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine
CID 90393592
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-[3-[9-[4-[3-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]phenyl]carbazol-3-yl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 138519532

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Brc1cccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c1.C#C.CC1(C)c2ccccc2-c2ccc(Cc3ccc(-c4ccccc4)cc3)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c3)cc21.
What is the InChIKey of 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?
The InChIKey is ZABABZIXTVWIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H38N2.C28H24.C24H16BrN.C2H2/c1-51(2)47-22-11-9-20-43(47)44-30-29-42(34-48(44)51)52(40-27-24-36(25-28-40)35-14-5-3-6-15-35)41-19-13-16-37(32-41)38-26-31-50-46(33-38)45-21-10-12-23-49(45)53(50)39-17-7-4-8-18-39;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;25-19-8-6-7-17(15-19)18-13-14-24-22(16-18)21-11-4-5-12-23(21)26(24)20-9-2-1-3-10-20;1-2/h3-34H,1-2H3;3-17,19H,18H2,1-2H3;1-16H;1-2H.
What are the key properties of 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?
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 has a molecular weight of 1463.72 g/mol, XLogP of 28.61, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 162062710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).