N-(7-naphthalen-1-yl-9,9-diphenylfluoren-2-yl)-11-phenyl-N-(3-phenylphenyl)benzo[a]carbazol-9-amine

C69H46N2 — CID 166503635

IUPACN-(7-naphthalen-1-yl-9,9-diphenylfluoren-2-yl)-11-phenyl-N-(3-phenylphenyl)benzo[a]carbazol-9-amine
SMILESc1ccc(-c2cccc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cc(-c5cccc6ccccc56)ccc3-4)c3ccc4c5ccc6ccccc6c5n(-c5ccccc5)c4c3)c2)cc1
InChIInChI=1S/C69H46N2/c1-5-19-47(20-6-1)50-24-17-31-55(43-50)70(57-38-42-63-64-40-35-49-22-14-16-33-60(49)68(64)71(67(63)46-57)54-29-11-4-12-30-54)56-37-41-62-61-39-36-51(59-34-18-23-48-21-13-15-32-58(48)59)44-65(61)69(66(62)45-56,52-25-7-2-8-26-52)53-27-9-3-10-28-53/h1-46H
InChIKeyRDRULKCJQGSDSL-UHFFFAOYSA-N
MW903.14 g/mol
LogP18.26
Rot. Bonds8

About N-(7-naphthalen-1-yl-9,9-diphenylfluoren-2-yl)-11-phenyl-N-(3-phenylphenyl)benzo[a]carbazol-9-amine

N-(7-naphthalen-1-yl-9,9-diphenylfluoren-2-yl)-11-phenyl-N-(3-phenylphenyl)benzo[a]carbazol-9-amine (PubChem CID 166503635) has the molecular formula C69H46N2 and a molecular weight of 903.14 g/mol. Its IUPAC name is N-(7-naphthalen-1-yl-9,9-diphenylfluoren-2-yl)-11-phenyl-N-(3-phenylphenyl)benzo[a]carbazol-9-amine.

Molecular Properties

Compound NameN-(7-naphthalen-1-yl-9,9-diphenylfluoren-2-yl)-11-phenyl-N-(3-phenylphenyl)benzo[a]carbazol-9-amine
PubChem CID166503635
Molecular FormulaC69H46N2
Molecular Weight903.14 g/mol
Exact Mass902.37
IUPAC NameN-(7-naphthalen-1-yl-9,9-diphenylfluoren-2-yl)-11-phenyl-N-(3-phenylphenyl)benzo[a]carbazol-9-amine
SMILESc1ccc(-c2cccc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cc(-c5cccc6ccccc56)ccc3-4)c3ccc4c5ccc6ccccc6c5n(-c5ccccc5)c4c3)c2)cc1
InChIInChI=1S/C69H46N2/c1-5-19-47(20-6-1)50-24-17-31-55(43-50)70(57-38-42-63-64-40-35-49-22-14-16-33-60(49)68(64)71(67(63)46-57)54-29-11-4-12-30-54)56-37-41-62-61-39-36-51(59-34-18-23-48-21-13-15-32-58(48)59)44-65(61)69(66(62)45-56,52-25-7-2-8-26-52)53-27-9-3-10-28-53/h1-46H
InChIKeyRDRULKCJQGSDSL-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-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]fluoren-2-amine
CID 168782174
N-naphthalen-2-yl-N-(7-naphthalen-2-yl-9,9-diphenylfluoren-2-yl)-11-phenylbenzo[a]carbazol-9-amine
CID 166503597
N-phenyl-11-(3-phenylphenyl)-N-[9-phenyl-9-(3-phenylphenyl)fluoren-2-yl]benzo[a]carbazol-9-amine
CID 166503654
N-naphthalen-1-yl-N-(7-naphthalen-2-yl-9,9-diphenylfluoren-2-yl)-11-phenylbenzo[a]carbazol-9-amine
CID 166503650
N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-1-yl-11-(4-phenylphenyl)benzo[a]carbazol-9-amine
CID 166503673
N-naphthalen-1-yl-11-(3-phenylphenyl)-N-[9-phenyl-9-(3-phenylphenyl)fluoren-2-yl]benzo[a]carbazol-9-amine
CID 166503702
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-[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-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-[2-(2-phenylphenyl)phenyl]phenyl]fluoren-3-amine
CID 168781573
N,9-diphenyl-N-[9-phenyl-9-(4-phenylphenyl)fluoren-2-yl]carbazol-2-amine
CID 170375341
9,9-diphenyl-N-[3-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 118505688

Frequently Asked Questions

What is the IUPAC name of N-(7-naphthalen-1-yl-9,9-diphenylfluoren-2-yl)-11-phenyl-N-(3-phenylphenyl)benzo[a]carbazol-9-amine?
The IUPAC name of N-(7-naphthalen-1-yl-9,9-diphenylfluoren-2-yl)-11-phenyl-N-(3-phenylphenyl)benzo[a]carbazol-9-amine (CID 166503635) is N-(7-naphthalen-1-yl-9,9-diphenylfluoren-2-yl)-11-phenyl-N-(3-phenylphenyl)benzo[a]carbazol-9-amine.
What is the SMILES notation for N-(7-naphthalen-1-yl-9,9-diphenylfluoren-2-yl)-11-phenyl-N-(3-phenylphenyl)benzo[a]carbazol-9-amine?
The canonical SMILES for N-(7-naphthalen-1-yl-9,9-diphenylfluoren-2-yl)-11-phenyl-N-(3-phenylphenyl)benzo[a]carbazol-9-amine is c1ccc(-c2cccc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cc(-c5cccc6ccccc56)ccc3-4)c3ccc4c5ccc6ccccc6c5n(-c5ccccc5)c4c3)c2)cc1.
What is the InChIKey of N-(7-naphthalen-1-yl-9,9-diphenylfluoren-2-yl)-11-phenyl-N-(3-phenylphenyl)benzo[a]carbazol-9-amine?
The InChIKey is RDRULKCJQGSDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H46N2/c1-5-19-47(20-6-1)50-24-17-31-55(43-50)70(57-38-42-63-64-40-35-49-22-14-16-33-60(49)68(64)71(67(63)46-57)54-29-11-4-12-30-54)56-37-41-62-61-39-36-51(59-34-18-23-48-21-13-15-32-58(48)59)44-65(61)69(66(62)45-56,52-25-7-2-8-26-52)53-27-9-3-10-28-53/h1-46H.
What are the key properties of N-(7-naphthalen-1-yl-9,9-diphenylfluoren-2-yl)-11-phenyl-N-(3-phenylphenyl)benzo[a]carbazol-9-amine?
N-(7-naphthalen-1-yl-9,9-diphenylfluoren-2-yl)-11-phenyl-N-(3-phenylphenyl)benzo[a]carbazol-9-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-(7-naphthalen-1-yl-9,9-diphenylfluoren-2-yl)-11-phenyl-N-(3-phenylphenyl)benzo[a]carbazol-9-amine is sourced from PubChem (CID 166503635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).