N-naphthalen-1-yl-9-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]carbazol-3-amine

C53H36N2 — CID 129264419

IUPACN-naphthalen-1-yl-9-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]carbazol-3-amine
SMILESc1ccc(-n2c3ccccc3c3cc(N(c4ccc(C5(c6ccccc6)c6ccccc6-c6ccccc65)cc4)c4cccc5ccccc45)ccc32)cc1
InChIInChI=1S/C53H36N2/c1-3-18-38(19-4-1)53(48-26-12-9-23-44(48)45-24-10-13-27-49(45)53)39-30-32-41(33-31-39)54(50-29-15-17-37-16-7-8-22-43(37)50)42-34-35-52-47(36-42)46-25-11-14-28-51(46)55(52)40-20-5-2-6-21-40/h1-36H
InChIKeyPNJFAAJRNLOYTD-UHFFFAOYSA-N
MW700.89 g/mol
LogP13.77
Rot. Bonds6

About N-naphthalen-1-yl-9-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]carbazol-3-amine

N-naphthalen-1-yl-9-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]carbazol-3-amine (PubChem CID 129264419) has the molecular formula C53H36N2 and a molecular weight of 700.89 g/mol. Its IUPAC name is N-naphthalen-1-yl-9-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]carbazol-3-amine.

Molecular Properties

Compound NameN-naphthalen-1-yl-9-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]carbazol-3-amine
PubChem CID129264419
Molecular FormulaC53H36N2
Molecular Weight700.89 g/mol
Exact Mass700.29
IUPAC NameN-naphthalen-1-yl-9-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]carbazol-3-amine
SMILESc1ccc(-n2c3ccccc3c3cc(N(c4ccc(C5(c6ccccc6)c6ccccc6-c6ccccc65)cc4)c4cccc5ccccc45)ccc32)cc1
InChIInChI=1S/C53H36N2/c1-3-18-38(19-4-1)53(48-26-12-9-23-44(48)45-24-10-13-27-49(45)53)39-30-32-41(33-31-39)54(50-29-15-17-37-16-7-8-22-43(37)50)42-34-35-52-47(36-42)46-25-11-14-28-51(46)55(52)40-20-5-2-6-21-40/h1-36H
InChIKeyPNJFAAJRNLOYTD-UHFFFAOYSA-N
XLogP13.77
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500700.89
LogP ≤ 513.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-naphthalen-1-yl-9,9-diphenyl-N-[4-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine
CID 90393429
N-[4-[4-[3-[4-[3-[(9,9-diphenylfluoren-2-yl)-naphthalen-1-ylamino]phenyl]phenyl]carbazol-9-yl]phenyl]phenyl]-9,9-diphenyl-N-[3-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine
CID 146576508
9-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine
CID 129264403
N-naphthalen-1-yl-N-[4-[9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-yl]phenyl]naphthalen-1-amine
CID 167215207
N-naphthalen-1-yl-9,9-diphenyl-7-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)fluoren-2-amine
CID 71290910
2-(9-phenylcarbazol-3-yl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 177116819
N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]carbazol-3-amine
CID 129264404
N-naphthalen-2-yl-9-phenyl-N-[5-[2,3,5,6-tetradeuterio-4-(N-(9,9-diphenylfluoren-2-yl)anilino)phenyl]naphthalen-1-yl]carbazol-3-amine
CID 163530919
N-(9,9-diphenylfluoren-2-yl)-9-phenyl-N-[5-[2,3,5,6-tetradeuterio-4-(N-naphthalen-2-ylanilino)phenyl]naphthalen-1-yl]carbazol-3-amine
CID 163462319
N-[4-(9-methylfluoren-9-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphthalen-1-amine
CID 129293021
4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-[3-(9-phenylfluoren-9-yl)carbazol-9-yl]phenyl]aniline
CID 167214691
1-N'-naphthalen-1-yl-1-N,1-N-diphenyl-1-N'-(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-1,1'-diamine
CID 164838059

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-9-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]carbazol-3-amine?
The IUPAC name of N-naphthalen-1-yl-9-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]carbazol-3-amine (CID 129264419) is N-naphthalen-1-yl-9-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]carbazol-3-amine.
What is the SMILES notation for N-naphthalen-1-yl-9-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]carbazol-3-amine?
The canonical SMILES for N-naphthalen-1-yl-9-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]carbazol-3-amine is c1ccc(-n2c3ccccc3c3cc(N(c4ccc(C5(c6ccccc6)c6ccccc6-c6ccccc65)cc4)c4cccc5ccccc45)ccc32)cc1.
What is the InChIKey of N-naphthalen-1-yl-9-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]carbazol-3-amine?
The InChIKey is PNJFAAJRNLOYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H36N2/c1-3-18-38(19-4-1)53(48-26-12-9-23-44(48)45-24-10-13-27-49(45)53)39-30-32-41(33-31-39)54(50-29-15-17-37-16-7-8-22-43(37)50)42-34-35-52-47(36-42)46-25-11-14-28-51(46)55(52)40-20-5-2-6-21-40/h1-36H.
What are the key properties of N-naphthalen-1-yl-9-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]carbazol-3-amine?
N-naphthalen-1-yl-9-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]carbazol-3-amine has a molecular weight of 700.89 g/mol, XLogP of 13.77, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-9-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]carbazol-3-amine is sourced from PubChem (CID 129264419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).