N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-1-yl-11-(4-phenylphenyl)benzo[a]carbazol-9-amine

C63H42N2 — CID 166503673

IUPACN-(9,9-diphenylfluoren-2-yl)-N-naphthalen-1-yl-11-(4-phenylphenyl)benzo[a]carbazol-9-amine
SMILESc1ccc(-c2ccc(-n3c4cc(N(c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)c5cccc6ccccc56)ccc4c4ccc5ccccc5c43)cc2)cc1
InChIInChI=1S/C63H42N2/c1-4-17-43(18-5-1)44-31-34-49(35-32-44)65-61-42-51(37-40-56(61)57-38-33-46-20-11-13-27-53(46)62(57)65)64(60-30-16-21-45-19-10-12-26-52(45)60)50-36-39-55-54-28-14-15-29-58(54)63(59(55)41-50,47-22-6-2-7-23-47)48-24-8-3-9-25-48/h1-42H
InChIKeyZSDFZPQKPKSHEY-UHFFFAOYSA-N
MW827.04 g/mol
LogP16.59
Rot. Bonds7

About N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-1-yl-11-(4-phenylphenyl)benzo[a]carbazol-9-amine

N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-1-yl-11-(4-phenylphenyl)benzo[a]carbazol-9-amine (PubChem CID 166503673) has the molecular formula C63H42N2 and a molecular weight of 827.04 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-1-yl-11-(4-phenylphenyl)benzo[a]carbazol-9-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-2-yl)-N-naphthalen-1-yl-11-(4-phenylphenyl)benzo[a]carbazol-9-amine
PubChem CID166503673
Molecular FormulaC63H42N2
Molecular Weight827.04 g/mol
Exact Mass826.33
IUPAC NameN-(9,9-diphenylfluoren-2-yl)-N-naphthalen-1-yl-11-(4-phenylphenyl)benzo[a]carbazol-9-amine
SMILESc1ccc(-c2ccc(-n3c4cc(N(c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)c5cccc6ccccc56)ccc4c4ccc5ccccc5c43)cc2)cc1
InChIInChI=1S/C63H42N2/c1-4-17-43(18-5-1)44-31-34-49(35-32-44)65-61-42-51(37-40-56(61)57-38-33-46-20-11-13-27-53(46)62(57)65)64(60-30-16-21-45-19-10-12-26-52(45)60)50-36-39-55-54-28-14-15-29-58(54)63(59(55)41-50,47-22-6-2-7-23-47)48-24-8-3-9-25-48/h1-42H
InChIKeyZSDFZPQKPKSHEY-UHFFFAOYSA-N
XLogP16.59
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500827.04
LogP ≤ 516.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-naphthalen-1-yl-11-(3-phenylphenyl)-N-[9-phenyl-9-(3-phenylphenyl)fluoren-2-yl]benzo[a]carbazol-9-amine
CID 166503702
N-naphthalen-1-yl-11-(3-phenylphenyl)-N-[9-phenyl-9-(2-phenylphenyl)fluoren-2-yl]benzo[a]carbazol-9-amine
CID 166503677
N-naphthalen-1-yl-N-(7-naphthalen-2-yl-9,9-diphenylfluoren-2-yl)-11-phenylbenzo[a]carbazol-9-amine
CID 166503650
N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]fluoren-2-amine
CID 168782174
N-(7-naphthalen-1-yl-9,9-diphenylfluoren-2-yl)-11-phenyl-N-(3-phenylphenyl)benzo[a]carbazol-9-amine
CID 166503635
N-phenyl-11-(3-phenylphenyl)-N-[9-phenyl-9-(3-phenylphenyl)fluoren-2-yl]benzo[a]carbazol-9-amine
CID 166503654
9,9-diphenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(4-phenylphenyl)fluoren-4-amine
CID 168782198
N-[3-(9-naphthalen-2-ylcarbazol-2-yl)phenyl]-N,9,9-triphenylfluoren-2-amine;N-naphthalen-1-yl-9,9-diphenyl-N-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]fluoren-2-amine;N-naphthalen-2-yl-9,9-diphenyl-N-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]fluoren-2-amine
CID 161145523
2-[9-(9,9-diphenylfluoren-2-yl)carbazol-2-yl]-N,N-bis(3-phenylphenyl)aniline;N-[2-[9-(9,9-diphenylfluoren-2-yl)carbazol-2-yl]phenyl]-N-naphthalen-1-yl-9,9-diphenylfluoren-2-amine;N-[2-[9-(9,9-diphenylfluoren-2-yl)carbazol-2-yl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 161069792
N-naphthalen-2-yl-N-(7-naphthalen-2-yl-9,9-diphenylfluoren-2-yl)-11-phenylbenzo[a]carbazol-9-amine
CID 166503597
N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 168781399
N-naphthalen-1-yl-9,9-diphenyl-N-[4-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine
CID 90393429

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-1-yl-11-(4-phenylphenyl)benzo[a]carbazol-9-amine?
The IUPAC name of N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-1-yl-11-(4-phenylphenyl)benzo[a]carbazol-9-amine (CID 166503673) is N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-1-yl-11-(4-phenylphenyl)benzo[a]carbazol-9-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-1-yl-11-(4-phenylphenyl)benzo[a]carbazol-9-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-1-yl-11-(4-phenylphenyl)benzo[a]carbazol-9-amine is c1ccc(-c2ccc(-n3c4cc(N(c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)c5cccc6ccccc56)ccc4c4ccc5ccccc5c43)cc2)cc1.
What is the InChIKey of N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-1-yl-11-(4-phenylphenyl)benzo[a]carbazol-9-amine?
The InChIKey is ZSDFZPQKPKSHEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H42N2/c1-4-17-43(18-5-1)44-31-34-49(35-32-44)65-61-42-51(37-40-56(61)57-38-33-46-20-11-13-27-53(46)62(57)65)64(60-30-16-21-45-19-10-12-26-52(45)60)50-36-39-55-54-28-14-15-29-58(54)63(59(55)41-50,47-22-6-2-7-23-47)48-24-8-3-9-25-48/h1-42H.
What are the key properties of N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-1-yl-11-(4-phenylphenyl)benzo[a]carbazol-9-amine?
N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-1-yl-11-(4-phenylphenyl)benzo[a]carbazol-9-amine has a molecular weight of 827.04 g/mol, XLogP of 16.59, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-1-yl-11-(4-phenylphenyl)benzo[a]carbazol-9-amine is sourced from PubChem (CID 166503673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).