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

C69H46N2 — CID 166503702

IUPACN-naphthalen-1-yl-11-(3-phenylphenyl)-N-[9-phenyl-9-(3-phenylphenyl)fluoren-2-yl]benzo[a]carbazol-9-amine
SMILESc1ccc(-c2cccc(-n3c4cc(N(c5ccc6c(c5)C(c5ccccc5)(c5cccc(-c7ccccc7)c5)c5ccccc5-6)c5cccc6ccccc56)ccc4c4ccc5ccccc5c43)c2)cc1
InChIInChI=1S/C69H46N2/c1-4-19-47(20-5-1)51-26-16-30-54(43-51)69(53-28-8-3-9-29-53)64-35-15-14-34-60(64)61-41-38-56(45-65(61)69)70(66-36-18-25-49-23-10-12-32-58(49)66)57-39-42-62-63-40-37-50-24-11-13-33-59(50)68(63)71(67(62)46-57)55-31-17-27-52(44-55)48-21-6-2-7-22-48/h1-46H
InChIKeyKCGAJXIDGNFIND-UHFFFAOYSA-N
MW903.14 g/mol
LogP18.26
Rot. Bonds8

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

N-naphthalen-1-yl-11-(3-phenylphenyl)-N-[9-phenyl-9-(3-phenylphenyl)fluoren-2-yl]benzo[a]carbazol-9-amine (PubChem CID 166503702) has the molecular formula C69H46N2 and a molecular weight of 903.14 g/mol. Its IUPAC name is N-naphthalen-1-yl-11-(3-phenylphenyl)-N-[9-phenyl-9-(3-phenylphenyl)fluoren-2-yl]benzo[a]carbazol-9-amine.

Molecular Properties

Compound NameN-naphthalen-1-yl-11-(3-phenylphenyl)-N-[9-phenyl-9-(3-phenylphenyl)fluoren-2-yl]benzo[a]carbazol-9-amine
PubChem CID166503702
Molecular FormulaC69H46N2
Molecular Weight903.14 g/mol
Exact Mass902.37
IUPAC NameN-naphthalen-1-yl-11-(3-phenylphenyl)-N-[9-phenyl-9-(3-phenylphenyl)fluoren-2-yl]benzo[a]carbazol-9-amine
SMILESc1ccc(-c2cccc(-n3c4cc(N(c5ccc6c(c5)C(c5ccccc5)(c5cccc(-c7ccccc7)c5)c5ccccc5-6)c5cccc6ccccc56)ccc4c4ccc5ccccc5c43)c2)cc1
InChIInChI=1S/C69H46N2/c1-4-19-47(20-5-1)51-26-16-30-54(43-51)69(53-28-8-3-9-29-53)64-35-15-14-34-60(64)61-41-38-56(45-65(61)69)70(66-36-18-25-49-23-10-12-32-58(49)66)57-39-42-62-63-40-37-50-24-11-13-33-59(50)68(63)71(67(62)46-57)55-31-17-27-52(44-55)48-21-6-2-7-22-48/h1-46H
InChIKeyKCGAJXIDGNFIND-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-naphthalen-1-yl-11-(3-phenylphenyl)-N-[9-phenyl-9-(2-phenylphenyl)fluoren-2-yl]benzo[a]carbazol-9-amine
CID 166503677
N-phenyl-11-(3-phenylphenyl)-N-[9-phenyl-9-(3-phenylphenyl)fluoren-2-yl]benzo[a]carbazol-9-amine
CID 166503654
N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-1-yl-11-(4-phenylphenyl)benzo[a]carbazol-9-amine
CID 166503673
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-naphthalen-1-yl-9,9-diphenyl-N-[9-phenyl-9-(3-phenylphenyl)fluoren-2-yl]fluoren-2-amine
CID 168853270
9,9-diphenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(4-phenylphenyl)fluoren-4-amine
CID 168782198
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-1-yl-9,9-diphenyl-N-[3-[9-[3-(3-phenylphenyl)phenyl]carbazol-2-yl]phenyl]fluoren-2-amine;N-(4-phenylphenyl)-N-[3-[9-[4-(2-phenylphenyl)phenyl]carbazol-2-yl]phenyl]naphthalen-1-amine;3-phenyl-N-(3-phenylphenyl)-N-[3-[9-[3-(2-phenylphenyl)phenyl]carbazol-2-yl]phenyl]aniline
CID 158858798
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

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-11-(3-phenylphenyl)-N-[9-phenyl-9-(3-phenylphenyl)fluoren-2-yl]benzo[a]carbazol-9-amine?
The IUPAC name of N-naphthalen-1-yl-11-(3-phenylphenyl)-N-[9-phenyl-9-(3-phenylphenyl)fluoren-2-yl]benzo[a]carbazol-9-amine (CID 166503702) is N-naphthalen-1-yl-11-(3-phenylphenyl)-N-[9-phenyl-9-(3-phenylphenyl)fluoren-2-yl]benzo[a]carbazol-9-amine.
What is the SMILES notation for N-naphthalen-1-yl-11-(3-phenylphenyl)-N-[9-phenyl-9-(3-phenylphenyl)fluoren-2-yl]benzo[a]carbazol-9-amine?
The canonical SMILES for N-naphthalen-1-yl-11-(3-phenylphenyl)-N-[9-phenyl-9-(3-phenylphenyl)fluoren-2-yl]benzo[a]carbazol-9-amine is c1ccc(-c2cccc(-n3c4cc(N(c5ccc6c(c5)C(c5ccccc5)(c5cccc(-c7ccccc7)c5)c5ccccc5-6)c5cccc6ccccc56)ccc4c4ccc5ccccc5c43)c2)cc1.
What is the InChIKey of N-naphthalen-1-yl-11-(3-phenylphenyl)-N-[9-phenyl-9-(3-phenylphenyl)fluoren-2-yl]benzo[a]carbazol-9-amine?
The InChIKey is KCGAJXIDGNFIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H46N2/c1-4-19-47(20-5-1)51-26-16-30-54(43-51)69(53-28-8-3-9-29-53)64-35-15-14-34-60(64)61-41-38-56(45-65(61)69)70(66-36-18-25-49-23-10-12-32-58(49)66)57-39-42-62-63-40-37-50-24-11-13-33-59(50)68(63)71(67(62)46-57)55-31-17-27-52(44-55)48-21-6-2-7-22-48/h1-46H.
What are the key properties of N-naphthalen-1-yl-11-(3-phenylphenyl)-N-[9-phenyl-9-(3-phenylphenyl)fluoren-2-yl]benzo[a]carbazol-9-amine?
N-naphthalen-1-yl-11-(3-phenylphenyl)-N-[9-phenyl-9-(3-phenylphenyl)fluoren-2-yl]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-naphthalen-1-yl-11-(3-phenylphenyl)-N-[9-phenyl-9-(3-phenylphenyl)fluoren-2-yl]benzo[a]carbazol-9-amine is sourced from PubChem (CID 166503702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).