N-naphthalen-2-yl-N-(7-naphthalen-2-yl-9,9-diphenylfluoren-2-yl)-11-phenylbenzo[a]carbazol-9-amine

C67H44N2 — CID 166503597

IUPACN-naphthalen-2-yl-N-(7-naphthalen-2-yl-9,9-diphenylfluoren-2-yl)-11-phenylbenzo[a]carbazol-9-amine
SMILESc1ccc(-n2c3cc(N(c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4cc(-c6ccc7ccccc7c6)ccc4-5)c4ccc5ccccc5c4)ccc3c3ccc4ccccc4c32)cc1
InChIInChI=1S/C67H44N2/c1-4-21-52(22-5-1)67(53-23-6-2-7-24-53)63-42-51(50-29-28-45-16-10-12-19-48(45)40-50)32-36-59(63)60-38-34-56(43-64(60)67)68(55-33-30-46-17-11-13-20-49(46)41-55)57-35-39-61-62-37-31-47-18-14-15-27-58(47)66(62)69(65(61)44-57)54-25-8-3-9-26-54/h1-44H
InChIKeyBUKQVEVQSAXBBC-UHFFFAOYSA-N
MW877.10 g/mol
LogP17.74
Rot. Bonds7

About N-naphthalen-2-yl-N-(7-naphthalen-2-yl-9,9-diphenylfluoren-2-yl)-11-phenylbenzo[a]carbazol-9-amine

N-naphthalen-2-yl-N-(7-naphthalen-2-yl-9,9-diphenylfluoren-2-yl)-11-phenylbenzo[a]carbazol-9-amine (PubChem CID 166503597) has the molecular formula C67H44N2 and a molecular weight of 877.10 g/mol. Its IUPAC name is N-naphthalen-2-yl-N-(7-naphthalen-2-yl-9,9-diphenylfluoren-2-yl)-11-phenylbenzo[a]carbazol-9-amine.

Molecular Properties

Compound NameN-naphthalen-2-yl-N-(7-naphthalen-2-yl-9,9-diphenylfluoren-2-yl)-11-phenylbenzo[a]carbazol-9-amine
PubChem CID166503597
Molecular FormulaC67H44N2
Molecular Weight877.10 g/mol
Exact Mass876.35
IUPAC NameN-naphthalen-2-yl-N-(7-naphthalen-2-yl-9,9-diphenylfluoren-2-yl)-11-phenylbenzo[a]carbazol-9-amine
SMILESc1ccc(-n2c3cc(N(c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4cc(-c6ccc7ccccc7c6)ccc4-5)c4ccc5ccccc5c4)ccc3c3ccc4ccccc4c32)cc1
InChIInChI=1S/C67H44N2/c1-4-21-52(22-5-1)67(53-23-6-2-7-24-53)63-42-51(50-29-28-45-16-10-12-19-48(45)40-50)32-36-59(63)60-38-34-56(43-64(60)67)68(55-33-30-46-17-11-13-20-49(46)41-55)57-35-39-61-62-37-31-47-18-14-15-27-58(47)66(62)69(65(61)44-57)54-25-8-3-9-26-54/h1-44H
InChIKeyBUKQVEVQSAXBBC-UHFFFAOYSA-N
XLogP17.74
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500877.10
LogP ≤ 517.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-naphthalen-1-yl-N-(7-naphthalen-2-yl-9,9-diphenylfluoren-2-yl)-11-phenylbenzo[a]carbazol-9-amine
CID 166503650
N-(7-naphthalen-1-yl-9,9-diphenylfluoren-2-yl)-11-phenyl-N-(3-phenylphenyl)benzo[a]carbazol-9-amine
CID 166503635
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-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]fluoren-2-amine
CID 168782174
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-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 168781399
N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-2-amine
CID 168781863
N-naphthalen-1-yl-11-(3-phenylphenyl)-N-[9-phenyl-9-(3-phenylphenyl)fluoren-2-yl]benzo[a]carbazol-9-amine
CID 166503702
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-(11,11-diphenylbenzo[b]fluoren-2-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 166036387
N-naphthalen-1-yl-11-(3-phenylphenyl)-N-[9-phenyl-9-(2-phenylphenyl)fluoren-2-yl]benzo[a]carbazol-9-amine
CID 166503677

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-N-(7-naphthalen-2-yl-9,9-diphenylfluoren-2-yl)-11-phenylbenzo[a]carbazol-9-amine?
The IUPAC name of N-naphthalen-2-yl-N-(7-naphthalen-2-yl-9,9-diphenylfluoren-2-yl)-11-phenylbenzo[a]carbazol-9-amine (CID 166503597) is N-naphthalen-2-yl-N-(7-naphthalen-2-yl-9,9-diphenylfluoren-2-yl)-11-phenylbenzo[a]carbazol-9-amine.
What is the SMILES notation for N-naphthalen-2-yl-N-(7-naphthalen-2-yl-9,9-diphenylfluoren-2-yl)-11-phenylbenzo[a]carbazol-9-amine?
The canonical SMILES for N-naphthalen-2-yl-N-(7-naphthalen-2-yl-9,9-diphenylfluoren-2-yl)-11-phenylbenzo[a]carbazol-9-amine is c1ccc(-n2c3cc(N(c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4cc(-c6ccc7ccccc7c6)ccc4-5)c4ccc5ccccc5c4)ccc3c3ccc4ccccc4c32)cc1.
What is the InChIKey of N-naphthalen-2-yl-N-(7-naphthalen-2-yl-9,9-diphenylfluoren-2-yl)-11-phenylbenzo[a]carbazol-9-amine?
The InChIKey is BUKQVEVQSAXBBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H44N2/c1-4-21-52(22-5-1)67(53-23-6-2-7-24-53)63-42-51(50-29-28-45-16-10-12-19-48(45)40-50)32-36-59(63)60-38-34-56(43-64(60)67)68(55-33-30-46-17-11-13-20-49(46)41-55)57-35-39-61-62-37-31-47-18-14-15-27-58(47)66(62)69(65(61)44-57)54-25-8-3-9-26-54/h1-44H.
What are the key properties of N-naphthalen-2-yl-N-(7-naphthalen-2-yl-9,9-diphenylfluoren-2-yl)-11-phenylbenzo[a]carbazol-9-amine?
N-naphthalen-2-yl-N-(7-naphthalen-2-yl-9,9-diphenylfluoren-2-yl)-11-phenylbenzo[a]carbazol-9-amine has a molecular weight of 877.10 g/mol, XLogP of 17.74, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-2-yl-N-(7-naphthalen-2-yl-9,9-diphenylfluoren-2-yl)-11-phenylbenzo[a]carbazol-9-amine is sourced from PubChem (CID 166503597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).