4-[4-[4-[4-(9H-carbazol-3-yl)phenyl]phenyl]phenyl]-N,N-bis(4-naphthalen-1-ylphenyl)aniline

C68H46N2 — CID 153492707

IUPAC4-[4-[4-[4-(9H-carbazol-3-yl)phenyl]phenyl]phenyl]-N,N-bis(4-naphthalen-1-ylphenyl)aniline
SMILESc1ccc2c(-c3ccc(N(c4ccc(-c5ccc(-c6ccc(-c7ccc(-c8ccc9[nH]c%10ccccc%10c9c8)cc7)cc6)cc5)cc4)c4ccc(-c5cccc6ccccc56)cc4)cc3)cccc2c1
InChIInChI=1S/C68H46N2/c1-3-13-61-53(9-1)11-7-16-63(61)55-33-40-59(41-34-55)70(60-42-35-56(36-43-60)64-17-8-12-54-10-2-4-14-62(54)64)58-38-31-51(32-39-58)50-25-23-47(24-26-50)46-19-21-48(22-20-46)49-27-29-52(30-28-49)57-37-44-68-66(45-57)65-15-5-6-18-67(65)69-68/h1-45,69H
InChIKeyLINBXGXPJZUOLZ-UHFFFAOYSA-N
MW891.13 g/mol
LogP19.10
Rot. Bonds9

About 4-[4-[4-[4-(9H-carbazol-3-yl)phenyl]phenyl]phenyl]-N,N-bis(4-naphthalen-1-ylphenyl)aniline

4-[4-[4-[4-(9H-carbazol-3-yl)phenyl]phenyl]phenyl]-N,N-bis(4-naphthalen-1-ylphenyl)aniline (PubChem CID 153492707) has the molecular formula C68H46N2 and a molecular weight of 891.13 g/mol. Its IUPAC name is 4-[4-[4-[4-(9H-carbazol-3-yl)phenyl]phenyl]phenyl]-N,N-bis(4-naphthalen-1-ylphenyl)aniline.

Molecular Properties

Compound Name4-[4-[4-[4-(9H-carbazol-3-yl)phenyl]phenyl]phenyl]-N,N-bis(4-naphthalen-1-ylphenyl)aniline
PubChem CID153492707
Molecular FormulaC68H46N2
Molecular Weight891.13 g/mol
Exact Mass890.37
IUPAC Name4-[4-[4-[4-(9H-carbazol-3-yl)phenyl]phenyl]phenyl]-N,N-bis(4-naphthalen-1-ylphenyl)aniline
SMILESc1ccc2c(-c3ccc(N(c4ccc(-c5ccc(-c6ccc(-c7ccc(-c8ccc9[nH]c%10ccccc%10c9c8)cc7)cc6)cc5)cc4)c4ccc(-c5cccc6ccccc56)cc4)cc3)cccc2c1
InChIInChI=1S/C68H46N2/c1-3-13-61-53(9-1)11-7-16-63(61)55-33-40-59(41-34-55)70(60-42-35-56(36-43-60)64-17-8-12-54-10-2-4-14-62(54)64)58-38-31-51(32-39-58)50-25-23-47(24-26-50)46-19-21-48(22-20-46)49-27-29-52(30-28-49)57-37-44-68-66(45-57)65-15-5-6-18-67(65)69-68/h1-45,69H
InChIKeyLINBXGXPJZUOLZ-UHFFFAOYSA-N
XLogP19.10
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500891.13
LogP ≤ 519.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-naphthalen-1-yl-6-phenyl-9H-carbazole
CID 118099289
4-(9H-carbazol-3-yl)-N,N-diphenylaniline;ethane
CID 144639434
bromoethane;4-(9H-carbazol-3-yl)-N,N-diphenylaniline
CID 144639430
N-[4-[4-(N-(3,5-diphenylphenyl)-4-naphthalen-1-ylanilino)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-3,5-diphenylaniline
CID 58900796
N-[4-(3,5-diphenylphenyl)phenyl]-4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline
CID 130353837
4-[4-[4-(4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N,N-diphenylaniline;N-[4-[4-[4-(4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]phenyl]aniline
CID 159367730
4-N-[4-(7-naphthalen-1-ylnaphthalen-1-yl)phenyl]-1-N,4-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,4-diamine
CID 176588104
4-[4-(2,5-diphenylphenyl)phenyl]-N,N-bis(4-naphthalen-1-ylphenyl)aniline
CID 167297413
N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)aniline
CID 164831821
3-(9H-carbazol-3-yl)-1-naphthalen-1-yl-9H-carbazole
CID 175403206
N-[4-(9H-carbazol-3-yl)phenyl]-N-phenyl-4-propylaniline
CID 59306714
3-naphthalen-1-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]aniline
CID 172501995

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-[4-(9H-carbazol-3-yl)phenyl]phenyl]phenyl]-N,N-bis(4-naphthalen-1-ylphenyl)aniline?
The IUPAC name of 4-[4-[4-[4-(9H-carbazol-3-yl)phenyl]phenyl]phenyl]-N,N-bis(4-naphthalen-1-ylphenyl)aniline (CID 153492707) is 4-[4-[4-[4-(9H-carbazol-3-yl)phenyl]phenyl]phenyl]-N,N-bis(4-naphthalen-1-ylphenyl)aniline.
What is the SMILES notation for 4-[4-[4-[4-(9H-carbazol-3-yl)phenyl]phenyl]phenyl]-N,N-bis(4-naphthalen-1-ylphenyl)aniline?
The canonical SMILES for 4-[4-[4-[4-(9H-carbazol-3-yl)phenyl]phenyl]phenyl]-N,N-bis(4-naphthalen-1-ylphenyl)aniline is c1ccc2c(-c3ccc(N(c4ccc(-c5ccc(-c6ccc(-c7ccc(-c8ccc9[nH]c%10ccccc%10c9c8)cc7)cc6)cc5)cc4)c4ccc(-c5cccc6ccccc56)cc4)cc3)cccc2c1.
What is the InChIKey of 4-[4-[4-[4-(9H-carbazol-3-yl)phenyl]phenyl]phenyl]-N,N-bis(4-naphthalen-1-ylphenyl)aniline?
The InChIKey is LINBXGXPJZUOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H46N2/c1-3-13-61-53(9-1)11-7-16-63(61)55-33-40-59(41-34-55)70(60-42-35-56(36-43-60)64-17-8-12-54-10-2-4-14-62(54)64)58-38-31-51(32-39-58)50-25-23-47(24-26-50)46-19-21-48(22-20-46)49-27-29-52(30-28-49)57-37-44-68-66(45-57)65-15-5-6-18-67(65)69-68/h1-45,69H.
What are the key properties of 4-[4-[4-[4-(9H-carbazol-3-yl)phenyl]phenyl]phenyl]-N,N-bis(4-naphthalen-1-ylphenyl)aniline?
4-[4-[4-[4-(9H-carbazol-3-yl)phenyl]phenyl]phenyl]-N,N-bis(4-naphthalen-1-ylphenyl)aniline has a molecular weight of 891.13 g/mol, XLogP of 19.10, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-[4-(9H-carbazol-3-yl)phenyl]phenyl]phenyl]-N,N-bis(4-naphthalen-1-ylphenyl)aniline is sourced from PubChem (CID 153492707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).