N,N,7,9-tetranaphthalen-2-ylcarbazol-2-amine

C52H34N2 — CID 146573842

IUPACN,N,7,9-tetranaphthalen-2-ylcarbazol-2-amine
SMILESc1ccc2cc(-c3ccc4c5ccc(N(c6ccc7ccccc7c6)c6ccc7ccccc7c6)cc5n(-c5ccc6ccccc6c5)c4c3)ccc2c1
InChIInChI=1S/C52H34N2/c1-5-13-39-29-43(18-17-35(39)9-1)44-22-27-49-50-28-26-48(34-52(50)54(51(49)33-44)47-25-21-38-12-4-8-16-42(38)32-47)53(45-23-19-36-10-2-6-14-40(36)30-45)46-24-20-37-11-3-7-15-41(37)31-46/h1-34H
InChIKeyOIXJZHLYWXSOER-UHFFFAOYSA-N
MW686.86 g/mol
LogP14.53
Rot. Bonds5

About N,N,7,9-tetranaphthalen-2-ylcarbazol-2-amine

N,N,7,9-tetranaphthalen-2-ylcarbazol-2-amine (PubChem CID 146573842) has the molecular formula C52H34N2 and a molecular weight of 686.86 g/mol. Its IUPAC name is N,N,7,9-tetranaphthalen-2-ylcarbazol-2-amine.

Molecular Properties

Compound NameN,N,7,9-tetranaphthalen-2-ylcarbazol-2-amine
PubChem CID146573842
Molecular FormulaC52H34N2
Molecular Weight686.86 g/mol
Exact Mass686.27
IUPAC NameN,N,7,9-tetranaphthalen-2-ylcarbazol-2-amine
SMILESc1ccc2cc(-c3ccc4c5ccc(N(c6ccc7ccccc7c6)c6ccc7ccccc7c6)cc5n(-c5ccc6ccccc6c5)c4c3)ccc2c1
InChIInChI=1S/C52H34N2/c1-5-13-39-29-43(18-17-35(39)9-1)44-22-27-49-50-28-26-48(34-52(50)54(51(49)33-44)47-25-21-38-12-4-8-16-42(38)32-47)53(45-23-19-36-10-2-6-14-40(36)30-45)46-24-20-37-11-3-7-15-41(37)31-46/h1-34H
InChIKeyOIXJZHLYWXSOER-UHFFFAOYSA-N
XLogP14.53
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500686.86
LogP ≤ 514.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-naphthalen-2-yl-N,N,9-triphenylcarbazol-2-amine
CID 146573850
N-[4-(7-benzo[b]carbazol-5-ylnaphthalen-2-yl)phenyl]-4-naphthalen-2-yl-N-phenylaniline
CID 170363145
N-(4-phenylphenyl)-N-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]naphthalen-2-amine
CID 118505881
N-[7-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 174258176
7-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-N,9-diphenylcarbazol-2-amine
CID 146573851
N-[7-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]-9-phenyl-N-(3-phenylphenyl)carbazol-2-amine
CID 174258187
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-9-naphthalen-2-yl-N-phenylcarbazol-2-amine
CID 169062083
N,7-diphenyl-9-(3-phenylphenyl)-N-(4-phenylphenyl)carbazol-2-amine;N-(4-naphthalen-2-ylphenyl)-N,7-diphenyl-9-(3-phenylphenyl)carbazol-2-amine;7-phenyl-9-(3-phenylphenyl)-N,N-bis(4-phenylphenyl)carbazol-2-amine;N,N,7-triphenyl-9-(2-phenylphenyl)carbazol-2-amine;N,N,7-triphenyl-9-(3-phenylphenyl)carbazol-2-amine
CID 160535773
N,9-diphenyl-N-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]carbazol-2-amine
CID 174257903
3-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 146577954
N-[4-(6-carbazol-9-ylnaphthalen-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 142727938
N-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N,9-diphenylcarbazol-2-amine
CID 174258383

Frequently Asked Questions

What is the IUPAC name of N,N,7,9-tetranaphthalen-2-ylcarbazol-2-amine?
The IUPAC name of N,N,7,9-tetranaphthalen-2-ylcarbazol-2-amine (CID 146573842) is N,N,7,9-tetranaphthalen-2-ylcarbazol-2-amine.
What is the SMILES notation for N,N,7,9-tetranaphthalen-2-ylcarbazol-2-amine?
The canonical SMILES for N,N,7,9-tetranaphthalen-2-ylcarbazol-2-amine is c1ccc2cc(-c3ccc4c5ccc(N(c6ccc7ccccc7c6)c6ccc7ccccc7c6)cc5n(-c5ccc6ccccc6c5)c4c3)ccc2c1.
What is the InChIKey of N,N,7,9-tetranaphthalen-2-ylcarbazol-2-amine?
The InChIKey is OIXJZHLYWXSOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N2/c1-5-13-39-29-43(18-17-35(39)9-1)44-22-27-49-50-28-26-48(34-52(50)54(51(49)33-44)47-25-21-38-12-4-8-16-42(38)32-47)53(45-23-19-36-10-2-6-14-40(36)30-45)46-24-20-37-11-3-7-15-41(37)31-46/h1-34H.
What are the key properties of N,N,7,9-tetranaphthalen-2-ylcarbazol-2-amine?
N,N,7,9-tetranaphthalen-2-ylcarbazol-2-amine has a molecular weight of 686.86 g/mol, XLogP of 14.53, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,7,9-tetranaphthalen-2-ylcarbazol-2-amine is sourced from PubChem (CID 146573842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).