N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]fluoren-2-amine

C69H46N2 — CID 168782174

IUPACN-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]fluoren-2-amine
SMILESc1ccc(-n2c3cc(-c4ccc(N(c5ccc(-c6cccc7ccccc67)cc5)c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)cc4)ccc3c3ccc4ccccc4c32)cc1
InChIInChI=1S/C69H46N2/c1-4-20-52(21-5-1)69(53-22-6-2-7-23-53)65-30-15-14-28-61(65)62-44-41-57(46-66(62)69)70(56-39-33-50(34-40-56)59-29-16-19-48-17-10-12-26-58(48)59)55-37-31-47(32-38-55)51-36-42-63-64-43-35-49-18-11-13-27-60(49)68(64)71(67(63)45-51)54-24-8-3-9-25-54/h1-46H
InChIKeyZHRHFSXIILSADY-UHFFFAOYSA-N
MW903.14 g/mol
LogP18.26
Rot. Bonds8

About N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]fluoren-2-amine

N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]fluoren-2-amine (PubChem CID 168782174) has the molecular formula C69H46N2 and a molecular weight of 903.14 g/mol. Its IUPAC name is N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]fluoren-2-amine.

Molecular Properties

Compound NameN-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]fluoren-2-amine
PubChem CID168782174
Molecular FormulaC69H46N2
Molecular Weight903.14 g/mol
Exact Mass902.37
IUPAC NameN-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]fluoren-2-amine
SMILESc1ccc(-n2c3cc(-c4ccc(N(c5ccc(-c6cccc7ccccc67)cc5)c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)cc4)ccc3c3ccc4ccccc4c32)cc1
InChIInChI=1S/C69H46N2/c1-4-20-52(21-5-1)69(53-22-6-2-7-23-53)65-30-15-14-28-61(65)62-44-41-57(46-66(62)69)70(56-39-33-50(34-40-56)59-29-16-19-48-17-10-12-26-58(48)59)55-37-31-47(32-38-55)51-36-42-63-64-43-35-49-18-11-13-27-60(49)68(64)71(67(63)45-51)54-24-8-3-9-25-54/h1-46H
InChIKeyZHRHFSXIILSADY-UHFFFAOYSA-N
XLogP18.26
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500903.14
LogP ≤ 518.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 168781399
N-(7-naphthalen-1-yl-9,9-diphenylfluoren-2-yl)-11-phenyl-N-(3-phenylphenyl)benzo[a]carbazol-9-amine
CID 166503635
9,9-diphenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]fluoren-3-amine
CID 168781573
N-phenyl-11-(3-phenylphenyl)-N-[9-phenyl-9-(3-phenylphenyl)fluoren-2-yl]benzo[a]carbazol-9-amine
CID 166503654
N-(4-naphthalen-2-ylphenyl)-2-phenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine
CID 168781333
N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-1-yl-11-(4-phenylphenyl)benzo[a]carbazol-9-amine
CID 166503673
N-naphthalen-2-yl-N-(7-naphthalen-2-yl-9,9-diphenylfluoren-2-yl)-11-phenylbenzo[a]carbazol-9-amine
CID 166503597
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
9,9-diphenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(4-phenylphenyl)fluoren-4-amine
CID 168782198
9,9-diphenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 90124595
N-(4-naphthalen-1-ylphenyl)-9-phenyl-N,9-bis(4-phenylphenyl)fluoren-2-amine
CID 163699411

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]fluoren-2-amine?
The IUPAC name of N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]fluoren-2-amine (CID 168782174) is N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]fluoren-2-amine.
What is the SMILES notation for N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]fluoren-2-amine?
The canonical SMILES for N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]fluoren-2-amine is c1ccc(-n2c3cc(-c4ccc(N(c5ccc(-c6cccc7ccccc67)cc5)c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)cc4)ccc3c3ccc4ccccc4c32)cc1.
What is the InChIKey of N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]fluoren-2-amine?
The InChIKey is ZHRHFSXIILSADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H46N2/c1-4-20-52(21-5-1)69(53-22-6-2-7-23-53)65-30-15-14-28-61(65)62-44-41-57(46-66(62)69)70(56-39-33-50(34-40-56)59-29-16-19-48-17-10-12-26-58(48)59)55-37-31-47(32-38-55)51-36-42-63-64-43-35-49-18-11-13-27-60(49)68(64)71(67(63)45-51)54-24-8-3-9-25-54/h1-46H.
What are the key properties of N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]fluoren-2-amine?
N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]fluoren-2-amine has a molecular weight of 903.14 g/mol, XLogP of 18.26, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]fluoren-2-amine is sourced from PubChem (CID 168782174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).