N-(4-carbazol-9-ylphenyl)-N-[4-(5,6-dihydronaphthalen-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline

C56H40N2 — CID 167222301

IUPACN-(4-carbazol-9-ylphenyl)-N-[4-(5,6-dihydronaphthalen-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
SMILESC1=Cc2c(cccc2-c2ccc(N(c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccccc3-c3cccc4cccc(-c5ccccc5)c34)cc2)CC1
InChIInChI=1S/C56H40N2/c1-2-15-40(16-3-1)48-26-13-19-42-20-14-27-52(56(42)48)51-24-8-9-28-53(51)57(43-33-31-41(32-34-43)47-25-12-18-39-17-4-5-21-46(39)47)44-35-37-45(38-36-44)58-54-29-10-6-22-49(54)50-23-7-11-30-55(50)58/h1-3,5-16,18-38H,4,17H2
InChIKeyCDJSBHJJMKXPEP-UHFFFAOYSA-N
MW740.95 g/mol
LogP15.37
Rot. Bonds7

About N-(4-carbazol-9-ylphenyl)-N-[4-(5,6-dihydronaphthalen-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline

N-(4-carbazol-9-ylphenyl)-N-[4-(5,6-dihydronaphthalen-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline (PubChem CID 167222301) has the molecular formula C56H40N2 and a molecular weight of 740.95 g/mol. Its IUPAC name is N-(4-carbazol-9-ylphenyl)-N-[4-(5,6-dihydronaphthalen-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline.

Molecular Properties

Compound NameN-(4-carbazol-9-ylphenyl)-N-[4-(5,6-dihydronaphthalen-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
PubChem CID167222301
Molecular FormulaC56H40N2
Molecular Weight740.95 g/mol
Exact Mass740.32
IUPAC NameN-(4-carbazol-9-ylphenyl)-N-[4-(5,6-dihydronaphthalen-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
SMILESC1=Cc2c(cccc2-c2ccc(N(c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccccc3-c3cccc4cccc(-c5ccccc5)c34)cc2)CC1
InChIInChI=1S/C56H40N2/c1-2-15-40(16-3-1)48-26-13-19-42-20-14-27-52(56(42)48)51-24-8-9-28-53(51)57(43-33-31-41(32-34-43)47-25-12-18-39-17-4-5-21-46(39)47)44-35-37-45(38-36-44)58-54-29-10-6-22-49(54)50-23-7-11-30-55(50)58/h1-3,5-16,18-38H,4,17H2
InChIKeyCDJSBHJJMKXPEP-UHFFFAOYSA-N
XLogP15.37
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.95
LogP ≤ 515.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170297416
N,10-diphenyl-N-[2-[8-(7-phenyl-3,4-dihydrobenzo[c]carbazol-11-yl)naphthalen-1-yl]phenyl]anthracen-9-amine
CID 170093401
4-(4-carbazol-9-ylphenyl)-N,N-bis[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170379939
N-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170303156
N,2-diphenyl-N-[4-[8-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenyl]aniline
CID 169016116
N-(4-naphthalen-2-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170303084
4-[8-(4-carbazol-9-ylphenyl)naphthalen-1-yl]-N,N-diphenylaniline
CID 169016142
N-(4-phenanthren-1-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170303107
N-(4-carbazol-9-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]-2-[2-[2-(4-phenylphenyl)phenyl]phenyl]aniline
CID 172502154
N-[4-(5,6-dihydronaphthalen-1-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 145390533
2-(4-carbazol-9-ylphenyl)-N,N-bis(4-phenylphenyl)aniline
CID 121329642
N-(4-dibenzofuran-3-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170298823

Frequently Asked Questions

What is the IUPAC name of N-(4-carbazol-9-ylphenyl)-N-[4-(5,6-dihydronaphthalen-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline?
The IUPAC name of N-(4-carbazol-9-ylphenyl)-N-[4-(5,6-dihydronaphthalen-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline (CID 167222301) is N-(4-carbazol-9-ylphenyl)-N-[4-(5,6-dihydronaphthalen-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline.
What is the SMILES notation for N-(4-carbazol-9-ylphenyl)-N-[4-(5,6-dihydronaphthalen-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline?
The canonical SMILES for N-(4-carbazol-9-ylphenyl)-N-[4-(5,6-dihydronaphthalen-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline is C1=Cc2c(cccc2-c2ccc(N(c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccccc3-c3cccc4cccc(-c5ccccc5)c34)cc2)CC1.
What is the InChIKey of N-(4-carbazol-9-ylphenyl)-N-[4-(5,6-dihydronaphthalen-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline?
The InChIKey is CDJSBHJJMKXPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H40N2/c1-2-15-40(16-3-1)48-26-13-19-42-20-14-27-52(56(42)48)51-24-8-9-28-53(51)57(43-33-31-41(32-34-43)47-25-12-18-39-17-4-5-21-46(39)47)44-35-37-45(38-36-44)58-54-29-10-6-22-49(54)50-23-7-11-30-55(50)58/h1-3,5-16,18-38H,4,17H2.
What are the key properties of N-(4-carbazol-9-ylphenyl)-N-[4-(5,6-dihydronaphthalen-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline?
N-(4-carbazol-9-ylphenyl)-N-[4-(5,6-dihydronaphthalen-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline has a molecular weight of 740.95 g/mol, XLogP of 15.37, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbazol-9-ylphenyl)-N-[4-(5,6-dihydronaphthalen-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline is sourced from PubChem (CID 167222301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).