N-(3-carbazol-9-ylphenyl)-N-[2-(11,11-dimethylbenzo[b]fluoren-3-yl)-3-phenylphenyl]naphthalen-1-amine

C59H42N2 — CID 170665973

IUPACN-(3-carbazol-9-ylphenyl)-N-[2-(11,11-dimethylbenzo[b]fluoren-3-yl)-3-phenylphenyl]naphthalen-1-amine
SMILESCC1(C)c2ccc(-c3c(-c4ccccc4)cccc3N(c3cccc(-n4c5ccccc5c5ccccc54)c3)c3cccc4ccccc34)cc2-c2cc3ccccc3cc21
InChIInChI=1S/C59H42N2/c1-59(2)52-34-33-43(36-50(52)51-35-41-20-6-7-21-42(41)37-53(51)59)58-47(40-17-4-3-5-18-40)28-16-32-57(58)61(54-31-14-22-39-19-8-9-25-46(39)54)45-24-15-23-44(38-45)60-55-29-12-10-26-48(55)49-27-11-13-30-56(49)60/h3-38H,1-2H3
InChIKeyWMSCFLXDQORERO-UHFFFAOYSA-N
MW779.00 g/mol
LogP16.20
Rot. Bonds6

About N-(3-carbazol-9-ylphenyl)-N-[2-(11,11-dimethylbenzo[b]fluoren-3-yl)-3-phenylphenyl]naphthalen-1-amine

N-(3-carbazol-9-ylphenyl)-N-[2-(11,11-dimethylbenzo[b]fluoren-3-yl)-3-phenylphenyl]naphthalen-1-amine (PubChem CID 170665973) has the molecular formula C59H42N2 and a molecular weight of 779.00 g/mol. Its IUPAC name is N-(3-carbazol-9-ylphenyl)-N-[2-(11,11-dimethylbenzo[b]fluoren-3-yl)-3-phenylphenyl]naphthalen-1-amine.

Molecular Properties

Compound NameN-(3-carbazol-9-ylphenyl)-N-[2-(11,11-dimethylbenzo[b]fluoren-3-yl)-3-phenylphenyl]naphthalen-1-amine
PubChem CID170665973
Molecular FormulaC59H42N2
Molecular Weight779.00 g/mol
Exact Mass778.33
IUPAC NameN-(3-carbazol-9-ylphenyl)-N-[2-(11,11-dimethylbenzo[b]fluoren-3-yl)-3-phenylphenyl]naphthalen-1-amine
SMILESCC1(C)c2ccc(-c3c(-c4ccccc4)cccc3N(c3cccc(-n4c5ccccc5c5ccccc54)c3)c3cccc4ccccc34)cc2-c2cc3ccccc3cc21
InChIInChI=1S/C59H42N2/c1-59(2)52-34-33-43(36-50(52)51-35-41-20-6-7-21-42(41)37-53(51)59)58-47(40-17-4-3-5-18-40)28-16-32-57(58)61(54-31-14-22-39-19-8-9-25-46(39)54)45-24-15-23-44(38-45)60-55-29-12-10-26-48(55)49-27-11-13-30-56(49)60/h3-38H,1-2H3
InChIKeyWMSCFLXDQORERO-UHFFFAOYSA-N
XLogP16.20
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500779.00
LogP ≤ 516.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-3-amine
CID 168790440
N-[2-(3-carbazol-9-ylphenyl)-3-phenylphenyl]-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine
CID 167293215
N-[2-(9,9-dimethylfluoren-3-yl)phenyl]-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-3-amine
CID 168790539
N-(3-carbazol-9-ylphenyl)-11,11-dimethyl-N-(1-naphthalen-2-ylnaphthalen-2-yl)benzo[b]fluoren-2-amine
CID 164774397
N-(3-carbazol-9-ylphenyl)-11,11-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)benzo[b]fluoren-2-amine;11,11-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-phenylbenzo[h]fluoren-1-amine;11,11-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(3-phenylphenyl)benzo[h]fluoren-1-amine;11,11-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(4-phenylphenyl)benzo[h]fluoren-1-amine
CID 165109640
N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-3-amine
CID 167286124
N-(11,11-dimethylbenzo[b]fluoren-3-yl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)-9-phenylcarbazol-2-amine
CID 164774440
N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-4-amine
CID 168789639
3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline;4-[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline
CID 159654715
9,9-dimethyl-N-naphthalen-1-yl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]fluoren-2-amine
CID 71175461
7-carbazol-9-yl-9,9-dimethyl-N-naphthalen-1-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 71038303
N-(6-carbazol-9-ylnaphthalen-1-yl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-3-amine
CID 139567875

Frequently Asked Questions

What is the IUPAC name of N-(3-carbazol-9-ylphenyl)-N-[2-(11,11-dimethylbenzo[b]fluoren-3-yl)-3-phenylphenyl]naphthalen-1-amine?
The IUPAC name of N-(3-carbazol-9-ylphenyl)-N-[2-(11,11-dimethylbenzo[b]fluoren-3-yl)-3-phenylphenyl]naphthalen-1-amine (CID 170665973) is N-(3-carbazol-9-ylphenyl)-N-[2-(11,11-dimethylbenzo[b]fluoren-3-yl)-3-phenylphenyl]naphthalen-1-amine.
What is the SMILES notation for N-(3-carbazol-9-ylphenyl)-N-[2-(11,11-dimethylbenzo[b]fluoren-3-yl)-3-phenylphenyl]naphthalen-1-amine?
The canonical SMILES for N-(3-carbazol-9-ylphenyl)-N-[2-(11,11-dimethylbenzo[b]fluoren-3-yl)-3-phenylphenyl]naphthalen-1-amine is CC1(C)c2ccc(-c3c(-c4ccccc4)cccc3N(c3cccc(-n4c5ccccc5c5ccccc54)c3)c3cccc4ccccc34)cc2-c2cc3ccccc3cc21.
What is the InChIKey of N-(3-carbazol-9-ylphenyl)-N-[2-(11,11-dimethylbenzo[b]fluoren-3-yl)-3-phenylphenyl]naphthalen-1-amine?
The InChIKey is WMSCFLXDQORERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H42N2/c1-59(2)52-34-33-43(36-50(52)51-35-41-20-6-7-21-42(41)37-53(51)59)58-47(40-17-4-3-5-18-40)28-16-32-57(58)61(54-31-14-22-39-19-8-9-25-46(39)54)45-24-15-23-44(38-45)60-55-29-12-10-26-48(55)49-27-11-13-30-56(49)60/h3-38H,1-2H3.
What are the key properties of N-(3-carbazol-9-ylphenyl)-N-[2-(11,11-dimethylbenzo[b]fluoren-3-yl)-3-phenylphenyl]naphthalen-1-amine?
N-(3-carbazol-9-ylphenyl)-N-[2-(11,11-dimethylbenzo[b]fluoren-3-yl)-3-phenylphenyl]naphthalen-1-amine has a molecular weight of 779.00 g/mol, XLogP of 16.20, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbazol-9-ylphenyl)-N-[2-(11,11-dimethylbenzo[b]fluoren-3-yl)-3-phenylphenyl]naphthalen-1-amine is sourced from PubChem (CID 170665973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).