N-[4-[4-(9-naphthalen-1-ylbenzo[c]carbazol-7-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine

C54H36N2 — CID 59728542

IUPACN-[4-[4-(9-naphthalen-1-ylbenzo[c]carbazol-7-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine
SMILESc1ccc(N(c2ccc(-c3ccc(-n4c5cc(-c6cccc7ccccc67)ccc5c5c6ccccc6ccc54)cc3)cc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C54H36N2/c1-2-17-43(18-3-1)55(51-23-11-16-40-13-5-8-20-48(40)51)44-30-24-37(25-31-44)38-26-32-45(33-27-38)56-52-35-29-41-14-6-9-21-49(41)54(52)50-34-28-42(36-53(50)56)47-22-10-15-39-12-4-7-19-46(39)47/h1-36H
InChIKeySTGBNLBLWZYQBX-UHFFFAOYSA-N
MW712.90 g/mol
LogP15.05
Rot. Bonds6

About N-[4-[4-(9-naphthalen-1-ylbenzo[c]carbazol-7-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine

N-[4-[4-(9-naphthalen-1-ylbenzo[c]carbazol-7-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine (PubChem CID 59728542) has the molecular formula C54H36N2 and a molecular weight of 712.90 g/mol. Its IUPAC name is N-[4-[4-(9-naphthalen-1-ylbenzo[c]carbazol-7-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine.

Molecular Properties

Compound NameN-[4-[4-(9-naphthalen-1-ylbenzo[c]carbazol-7-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine
PubChem CID59728542
Molecular FormulaC54H36N2
Molecular Weight712.90 g/mol
Exact Mass712.29
IUPAC NameN-[4-[4-(9-naphthalen-1-ylbenzo[c]carbazol-7-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine
SMILESc1ccc(N(c2ccc(-c3ccc(-n4c5cc(-c6cccc7ccccc67)ccc5c5c6ccccc6ccc54)cc3)cc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C54H36N2/c1-2-17-43(18-3-1)55(51-23-11-16-40-13-5-8-20-48(40)51)44-30-24-37(25-31-44)38-26-32-45(33-27-38)56-52-35-29-41-14-6-9-21-49(41)54(52)50-34-28-42(36-53(50)56)47-22-10-15-39-12-4-7-19-46(39)47/h1-36H
InChIKeySTGBNLBLWZYQBX-UHFFFAOYSA-N
XLogP15.05
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.90
LogP ≤ 515.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenyl-N-[3-(7-phenylbenzo[g]carbazol-9-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 166847702
N,N-diphenyl-4-[4-[7-(4-phenylphenyl)benzo[g]carbazol-9-yl]phenyl]aniline
CID 145362201
N-(4-phenylphenyl)-N-[4-[2-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]phenyl]naphthalen-1-amine
CID 126627984
N-(4-benzo[c]carbazol-7-ylphenyl)-N,2-bis(4-phenylphenyl)aniline
CID 167038136
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphthalen-1-amine
CID 167195242
N-(4-naphthalen-1-ylphenyl)-7-phenyl-N-(2-phenylphenyl)benzo[c]carbazol-10-amine
CID 166847541
N-(4-benzo[c]carbazol-7-ylphenyl)-4-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)aniline;N-(4-benzo[c]carbazol-7-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline;4-naphthalen-2-yl-N-phenyl-N-[4-(9-phenylbenzo[c]carbazol-7-yl)phenyl]aniline
CID 159709089
N-naphthalen-1-yl-5,9-diphenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 169009927
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[3-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]naphthalen-1-amine
CID 167195982
N-phenyl-N-[4-[4-[1-(2-phenylphenyl)benzo[c]carbazol-7-yl]phenyl]phenyl]naphthalen-1-amine
CID 177101002
4-(4-carbazol-9-ylphenyl)-N,N-diphenylaniline;4-(4-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-N-phenylaniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N,4-diphenylaniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-phenylnaphthalen-1-amine;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-phenylnaphthalen-2-amine
CID 159528912
N-[4-[4-(2-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 118152627

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(9-naphthalen-1-ylbenzo[c]carbazol-7-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine?
The IUPAC name of N-[4-[4-(9-naphthalen-1-ylbenzo[c]carbazol-7-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine (CID 59728542) is N-[4-[4-(9-naphthalen-1-ylbenzo[c]carbazol-7-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine.
What is the SMILES notation for N-[4-[4-(9-naphthalen-1-ylbenzo[c]carbazol-7-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine?
The canonical SMILES for N-[4-[4-(9-naphthalen-1-ylbenzo[c]carbazol-7-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine is c1ccc(N(c2ccc(-c3ccc(-n4c5cc(-c6cccc7ccccc67)ccc5c5c6ccccc6ccc54)cc3)cc2)c2cccc3ccccc23)cc1.
What is the InChIKey of N-[4-[4-(9-naphthalen-1-ylbenzo[c]carbazol-7-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine?
The InChIKey is STGBNLBLWZYQBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N2/c1-2-17-43(18-3-1)55(51-23-11-16-40-13-5-8-20-48(40)51)44-30-24-37(25-31-44)38-26-32-45(33-27-38)56-52-35-29-41-14-6-9-21-49(41)54(52)50-34-28-42(36-53(50)56)47-22-10-15-39-12-4-7-19-46(39)47/h1-36H.
What are the key properties of N-[4-[4-(9-naphthalen-1-ylbenzo[c]carbazol-7-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine?
N-[4-[4-(9-naphthalen-1-ylbenzo[c]carbazol-7-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine has a molecular weight of 712.90 g/mol, XLogP of 15.05, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(9-naphthalen-1-ylbenzo[c]carbazol-7-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine is sourced from PubChem (CID 59728542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).