N-(4-naphthalen-1-ylphenyl)-N-[3-(9-phenyl-7,8-dihydrocarbazol-4-yl)phenyl]naphthalen-1-amine

C50H36N2 — CID 167195728

IUPACN-(4-naphthalen-1-ylphenyl)-N-[3-(9-phenyl-7,8-dihydrocarbazol-4-yl)phenyl]naphthalen-1-amine
SMILESC1=Cc2c(n(-c3ccccc3)c3cccc(-c4cccc(N(c5ccc(-c6cccc7ccccc67)cc5)c5cccc6ccccc56)c4)c23)CC1
InChIInChI=1S/C50H36N2/c1-2-19-39(20-3-1)52-48-27-9-8-24-46(48)50-45(26-13-29-49(50)52)38-18-10-21-41(34-38)51(47-28-12-17-36-15-5-7-23-44(36)47)40-32-30-37(31-33-40)43-25-11-16-35-14-4-6-22-42(35)43/h1-8,10-26,28-34H,9,27H2
InChIKeyTUOBSCJOUPYBNT-UHFFFAOYSA-N
MW664.85 g/mol
LogP13.70
Rot. Bonds6

About N-(4-naphthalen-1-ylphenyl)-N-[3-(9-phenyl-7,8-dihydrocarbazol-4-yl)phenyl]naphthalen-1-amine

N-(4-naphthalen-1-ylphenyl)-N-[3-(9-phenyl-7,8-dihydrocarbazol-4-yl)phenyl]naphthalen-1-amine (PubChem CID 167195728) has the molecular formula C50H36N2 and a molecular weight of 664.85 g/mol. Its IUPAC name is N-(4-naphthalen-1-ylphenyl)-N-[3-(9-phenyl-7,8-dihydrocarbazol-4-yl)phenyl]naphthalen-1-amine.

Molecular Properties

Compound NameN-(4-naphthalen-1-ylphenyl)-N-[3-(9-phenyl-7,8-dihydrocarbazol-4-yl)phenyl]naphthalen-1-amine
PubChem CID167195728
Molecular FormulaC50H36N2
Molecular Weight664.85 g/mol
Exact Mass664.29
IUPAC NameN-(4-naphthalen-1-ylphenyl)-N-[3-(9-phenyl-7,8-dihydrocarbazol-4-yl)phenyl]naphthalen-1-amine
SMILESC1=Cc2c(n(-c3ccccc3)c3cccc(-c4cccc(N(c5ccc(-c6cccc7ccccc67)cc5)c5cccc6ccccc56)c4)c23)CC1
InChIInChI=1S/C50H36N2/c1-2-19-39(20-3-1)52-48-27-9-8-24-46(48)50-45(26-13-29-49(50)52)38-18-10-21-41(34-38)51(47-28-12-17-36-15-5-7-23-44(36)47)40-32-30-37(31-33-40)43-25-11-16-35-14-4-6-22-42(35)43/h1-8,10-26,28-34H,9,27H2
InChIKeyTUOBSCJOUPYBNT-UHFFFAOYSA-N
XLogP13.70
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.85
LogP ≤ 513.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-2-[3-(9-phenyl-7,8-dihydrocarbazol-4-yl)phenyl]aniline
CID 167195042
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphthalen-1-amine
CID 167195242
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[3-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]naphthalen-1-amine
CID 167195982
N-[3-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]-N-[4-(2-phenylphenyl)phenyl]naphthalen-1-amine
CID 166659786
N-[3-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine
CID 166659485
N-[3-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]-1,2-dihydrophenanthren-9-amine
CID 166660616
N-[4-[3-(1,2-dihydrocarbazol-9-yl)-5-phenanthren-9-ylphenyl]phenyl]-2-(2-phenylphenyl)-N-(3-phenylphenyl)aniline
CID 170273206
N-[4-(3,4-diphenylphenyl)phenyl]-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphthalen-1-amine
CID 164832079
N-[4-[3-(1,2-dihydrocarbazol-9-yl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-8-ylaniline
CID 174280764
N-[3-(9-phenyl-5,6-dihydrocarbazol-4-yl)phenyl]-N-[2-(4-phenylphenyl)phenyl]phenanthren-2-amine
CID 167194900
N-(4-naphthalen-1-ylphenyl)-2-[3-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167196149
N-(4-naphthalen-1-ylphenyl)-3,5-diphenyl-N-[3-(9-phenyl-1,2-dihydrocarbazol-4-yl)phenyl]aniline
CID 167194935

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-1-ylphenyl)-N-[3-(9-phenyl-7,8-dihydrocarbazol-4-yl)phenyl]naphthalen-1-amine?
The IUPAC name of N-(4-naphthalen-1-ylphenyl)-N-[3-(9-phenyl-7,8-dihydrocarbazol-4-yl)phenyl]naphthalen-1-amine (CID 167195728) is N-(4-naphthalen-1-ylphenyl)-N-[3-(9-phenyl-7,8-dihydrocarbazol-4-yl)phenyl]naphthalen-1-amine.
What is the SMILES notation for N-(4-naphthalen-1-ylphenyl)-N-[3-(9-phenyl-7,8-dihydrocarbazol-4-yl)phenyl]naphthalen-1-amine?
The canonical SMILES for N-(4-naphthalen-1-ylphenyl)-N-[3-(9-phenyl-7,8-dihydrocarbazol-4-yl)phenyl]naphthalen-1-amine is C1=Cc2c(n(-c3ccccc3)c3cccc(-c4cccc(N(c5ccc(-c6cccc7ccccc67)cc5)c5cccc6ccccc56)c4)c23)CC1.
What is the InChIKey of N-(4-naphthalen-1-ylphenyl)-N-[3-(9-phenyl-7,8-dihydrocarbazol-4-yl)phenyl]naphthalen-1-amine?
The InChIKey is TUOBSCJOUPYBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H36N2/c1-2-19-39(20-3-1)52-48-27-9-8-24-46(48)50-45(26-13-29-49(50)52)38-18-10-21-41(34-38)51(47-28-12-17-36-15-5-7-23-44(36)47)40-32-30-37(31-33-40)43-25-11-16-35-14-4-6-22-42(35)43/h1-8,10-26,28-34H,9,27H2.
What are the key properties of N-(4-naphthalen-1-ylphenyl)-N-[3-(9-phenyl-7,8-dihydrocarbazol-4-yl)phenyl]naphthalen-1-amine?
N-(4-naphthalen-1-ylphenyl)-N-[3-(9-phenyl-7,8-dihydrocarbazol-4-yl)phenyl]naphthalen-1-amine has a molecular weight of 664.85 g/mol, XLogP of 13.70, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-1-ylphenyl)-N-[3-(9-phenyl-7,8-dihydrocarbazol-4-yl)phenyl]naphthalen-1-amine is sourced from PubChem (CID 167195728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).