11-(7,7-dimethyl-1,2-dihydrobenzo[e]perimidin-2-yl)-N-phenyl-N-[4-(4-phenylphenyl)phenyl]benzo[a]carbazol-8-amine

C57H42N4 — CID 146733707

IUPAC11-(7,7-dimethyl-1,2-dihydrobenzo[e]perimidin-2-yl)-N-phenyl-N-[4-(4-phenylphenyl)phenyl]benzo[a]carbazol-8-amine
SMILESCC1(C)c2ccccc2C2=c3c1cccc3=NC(n1c3ccc(N(c4ccccc4)c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)cc3c3ccc4ccccc4c31)N2
InChIInChI=1S/C57H42N4/c1-57(2)49-21-12-11-20-47(49)54-53-50(57)22-13-23-51(53)58-56(59-54)61-52-35-33-44(36-48(52)46-34-30-41-16-9-10-19-45(41)55(46)61)60(42-17-7-4-8-18-42)43-31-28-40(29-32-43)39-26-24-38(25-27-39)37-14-5-3-6-15-37/h3-36,56,59H,1-2H3
InChIKeyRIRDXCMMWSHALK-UHFFFAOYSA-N
MW782.99 g/mol
LogP12.93
Rot. Bonds6

About 11-(7,7-dimethyl-1,2-dihydrobenzo[e]perimidin-2-yl)-N-phenyl-N-[4-(4-phenylphenyl)phenyl]benzo[a]carbazol-8-amine

11-(7,7-dimethyl-1,2-dihydrobenzo[e]perimidin-2-yl)-N-phenyl-N-[4-(4-phenylphenyl)phenyl]benzo[a]carbazol-8-amine (PubChem CID 146733707) has the molecular formula C57H42N4 and a molecular weight of 782.99 g/mol. Its IUPAC name is 11-(7,7-dimethyl-1,2-dihydrobenzo[e]perimidin-2-yl)-N-phenyl-N-[4-(4-phenylphenyl)phenyl]benzo[a]carbazol-8-amine.

Molecular Properties

Compound Name11-(7,7-dimethyl-1,2-dihydrobenzo[e]perimidin-2-yl)-N-phenyl-N-[4-(4-phenylphenyl)phenyl]benzo[a]carbazol-8-amine
PubChem CID146733707
Molecular FormulaC57H42N4
Molecular Weight782.99 g/mol
Exact Mass782.34
IUPAC Name11-(7,7-dimethyl-1,2-dihydrobenzo[e]perimidin-2-yl)-N-phenyl-N-[4-(4-phenylphenyl)phenyl]benzo[a]carbazol-8-amine
SMILESCC1(C)c2ccccc2C2=c3c1cccc3=NC(n1c3ccc(N(c4ccccc4)c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)cc3c3ccc4ccccc4c31)N2
InChIInChI=1S/C57H42N4/c1-57(2)49-21-12-11-20-47(49)54-53-50(57)22-13-23-51(53)58-56(59-54)61-52-35-33-44(36-48(52)46-34-30-41-16-9-10-19-45(41)55(46)61)60(42-17-7-4-8-18-42)43-31-28-40(29-32-43)39-26-24-38(25-27-39)37-14-5-3-6-15-37/h3-36,56,59H,1-2H3
InChIKeyRIRDXCMMWSHALK-UHFFFAOYSA-N
XLogP12.93
TPSA32.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500782.99
LogP ≤ 512.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(9,9-dimethylfluoren-3-yl)-11-phenyl-N-(4-phenylphenyl)benzo[a]carbazol-8-amine
CID 166847480
N-(9,9-dimethylfluoren-3-yl)-11-phenyl-N-(3-phenylphenyl)benzo[a]carbazol-8-amine
CID 166847861
N-[4-(7,7-dimethylbenzo[a]phenalen-1-yl)phenyl]-N-(4-phenylphenyl)triphenylen-2-amine
CID 167232505
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-1-azahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8,10,12(22),13,15,17(23),18,20-undecaen-5-amine
CID 164839349
1-N-(9,9-dimethylfluoren-2-yl)-4-N-naphthalen-1-yl-4-N-[4-[N-naphthalen-1-yl-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 59025130
2-N-(9,9-dimethylfluoren-2-yl)-7-N-[7-(N-(9,9-dimethylfluoren-2-yl)anilino)phenanthren-2-yl]-2-N,7-N-diphenylphenanthrene-2,7-diamine;2-N,7-N-dinaphthalen-1-yl-2-N-[7-(N-naphthalen-1-ylanilino)phenanthren-2-yl]-7-N-phenylphenanthrene-2,7-diamine;2-N-naphthalen-1-yl-7-N-[7-(N-naphthalen-1-ylanilino)phenanthren-2-yl]-2-N-phenyl-7-N-(4-phenylphenyl)phenanthrene-2,7-diamine
CID 158290526
9,9-dimethyl-N-[4-(6-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)phenyl]-N-(3-phenylphenyl)fluoren-2-amine
CID 177100656
N-[3-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;N-phenyl-N-[4-[4-(N-triphenylen-2-ylanilino)phenyl]phenyl]triphenylen-2-amine
CID 165054985
8,8-dimethyl-5-N,16-N-diphenyl-5-N,16-N-bis(4-phenylphenyl)pentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine
CID 118633470
N-(9,9-dimethylfluoren-2-yl)-10-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]phenanthren-3-amine;N-(9,9-dimethylfluoren-2-yl)-10-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenanthren-3-amine;N,10-diphenyl-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]phenanthren-3-amine;N,10-diphenyl-N-[4-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]phenanthren-3-amine;methane;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N,10-diphenylphenanthren-3-amine
CID 158051801
N-(4-chrysen-5-ylphenyl)-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine
CID 170675737
N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]naphthalen-1-amine;N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]naphthalen-2-amine;9,9-dimethyl-N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]fluoren-2-amine
CID 160741584

Frequently Asked Questions

What is the IUPAC name of 11-(7,7-dimethyl-1,2-dihydrobenzo[e]perimidin-2-yl)-N-phenyl-N-[4-(4-phenylphenyl)phenyl]benzo[a]carbazol-8-amine?
The IUPAC name of 11-(7,7-dimethyl-1,2-dihydrobenzo[e]perimidin-2-yl)-N-phenyl-N-[4-(4-phenylphenyl)phenyl]benzo[a]carbazol-8-amine (CID 146733707) is 11-(7,7-dimethyl-1,2-dihydrobenzo[e]perimidin-2-yl)-N-phenyl-N-[4-(4-phenylphenyl)phenyl]benzo[a]carbazol-8-amine.
What is the SMILES notation for 11-(7,7-dimethyl-1,2-dihydrobenzo[e]perimidin-2-yl)-N-phenyl-N-[4-(4-phenylphenyl)phenyl]benzo[a]carbazol-8-amine?
The canonical SMILES for 11-(7,7-dimethyl-1,2-dihydrobenzo[e]perimidin-2-yl)-N-phenyl-N-[4-(4-phenylphenyl)phenyl]benzo[a]carbazol-8-amine is CC1(C)c2ccccc2C2=c3c1cccc3=NC(n1c3ccc(N(c4ccccc4)c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)cc3c3ccc4ccccc4c31)N2.
What is the InChIKey of 11-(7,7-dimethyl-1,2-dihydrobenzo[e]perimidin-2-yl)-N-phenyl-N-[4-(4-phenylphenyl)phenyl]benzo[a]carbazol-8-amine?
The InChIKey is RIRDXCMMWSHALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H42N4/c1-57(2)49-21-12-11-20-47(49)54-53-50(57)22-13-23-51(53)58-56(59-54)61-52-35-33-44(36-48(52)46-34-30-41-16-9-10-19-45(41)55(46)61)60(42-17-7-4-8-18-42)43-31-28-40(29-32-43)39-26-24-38(25-27-39)37-14-5-3-6-15-37/h3-36,56,59H,1-2H3.
What are the key properties of 11-(7,7-dimethyl-1,2-dihydrobenzo[e]perimidin-2-yl)-N-phenyl-N-[4-(4-phenylphenyl)phenyl]benzo[a]carbazol-8-amine?
11-(7,7-dimethyl-1,2-dihydrobenzo[e]perimidin-2-yl)-N-phenyl-N-[4-(4-phenylphenyl)phenyl]benzo[a]carbazol-8-amine has a molecular weight of 782.99 g/mol, XLogP of 12.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(7,7-dimethyl-1,2-dihydrobenzo[e]perimidin-2-yl)-N-phenyl-N-[4-(4-phenylphenyl)phenyl]benzo[a]carbazol-8-amine is sourced from PubChem (CID 146733707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).