N-[4-(2-carbazol-9-yl-4-phenylphenyl)phenyl]-4-(3-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline

C70H46N2O — CID 139545368

IUPACN-[4-(2-carbazol-9-yl-4-phenylphenyl)phenyl]-4-(3-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cccc(-c6cccc7c6oc6ccccc67)c5)cc4)c4ccc(-c5cccc6ccccc56)cc4)cc3)c(-n3c4ccccc4c4ccccc43)c2)cc1
InChIInChI=1S/C70H46N2O/c1-2-15-47(16-3-1)53-37-44-60(68(46-53)72-66-28-9-6-22-62(66)63-23-7-10-29-67(63)72)51-35-42-57(43-36-51)71(56-40-33-50(34-41-56)59-25-13-18-49-17-4-5-21-58(49)59)55-38-31-48(32-39-55)52-19-12-20-54(45-52)61-26-14-27-65-64-24-8-11-30-69(64)73-70(61)65/h1-46H
InChIKeyLBSUCCFOZQLXJC-UHFFFAOYSA-N
MW931.15 g/mol
LogP19.64
Rot. Bonds9

About N-[4-(2-carbazol-9-yl-4-phenylphenyl)phenyl]-4-(3-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline

N-[4-(2-carbazol-9-yl-4-phenylphenyl)phenyl]-4-(3-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline (PubChem CID 139545368) has the molecular formula C70H46N2O and a molecular weight of 931.15 g/mol. Its IUPAC name is N-[4-(2-carbazol-9-yl-4-phenylphenyl)phenyl]-4-(3-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline.

Molecular Properties

Compound NameN-[4-(2-carbazol-9-yl-4-phenylphenyl)phenyl]-4-(3-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
PubChem CID139545368
Molecular FormulaC70H46N2O
Molecular Weight931.15 g/mol
Exact Mass930.36
IUPAC NameN-[4-(2-carbazol-9-yl-4-phenylphenyl)phenyl]-4-(3-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cccc(-c6cccc7c6oc6ccccc67)c5)cc4)c4ccc(-c5cccc6ccccc56)cc4)cc3)c(-n3c4ccccc4c4ccccc43)c2)cc1
InChIInChI=1S/C70H46N2O/c1-2-15-47(16-3-1)53-37-44-60(68(46-53)72-66-28-9-6-22-62(66)63-23-7-10-29-67(63)72)51-35-42-57(43-36-51)71(56-40-33-50(34-41-56)59-25-13-18-49-17-4-5-21-58(49)59)55-38-31-48(32-39-55)52-19-12-20-54(45-52)61-26-14-27-65-64-24-8-11-30-69(64)73-70(61)65/h1-46H
InChIKeyLBSUCCFOZQLXJC-UHFFFAOYSA-N
XLogP19.64
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500931.15
LogP ≤ 519.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2-carbazol-9-yl-4-phenylphenyl)phenyl]-N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-4-phenylaniline
CID 139545367
N-[4-(2-carbazol-9-yl-4-phenylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-2-ylaniline
CID 139545467
N-[4-(2-carbazol-9-ylphenyl)phenyl]-4-(3-dibenzofuran-4-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 139545181
4-[3-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-N-phenylaniline;N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]naphthalen-1-amine;N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-4-(4-dibenzofuran-4-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 157284109
N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline
CID 126709628
N-[4-[4-(3-dibenzofuran-4-ylphenyl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline
CID 121299017
N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-4-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 139545447
N-[3-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-4-ylphenyl)-3-(4-phenylphenyl)aniline
CID 139544656
3-(2-carbazol-9-ylphenyl)-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 139544966
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-3-naphthalen-1-ylaniline
CID 146578264
N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-3-dibenzofuran-4-yl-N-[4-(2-phenylphenyl)phenyl]aniline
CID 139544637
3-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 139544982

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-carbazol-9-yl-4-phenylphenyl)phenyl]-4-(3-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline?
The IUPAC name of N-[4-(2-carbazol-9-yl-4-phenylphenyl)phenyl]-4-(3-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline (CID 139545368) is N-[4-(2-carbazol-9-yl-4-phenylphenyl)phenyl]-4-(3-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline.
What is the SMILES notation for N-[4-(2-carbazol-9-yl-4-phenylphenyl)phenyl]-4-(3-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline?
The canonical SMILES for N-[4-(2-carbazol-9-yl-4-phenylphenyl)phenyl]-4-(3-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline is c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cccc(-c6cccc7c6oc6ccccc67)c5)cc4)c4ccc(-c5cccc6ccccc56)cc4)cc3)c(-n3c4ccccc4c4ccccc43)c2)cc1.
What is the InChIKey of N-[4-(2-carbazol-9-yl-4-phenylphenyl)phenyl]-4-(3-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline?
The InChIKey is LBSUCCFOZQLXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H46N2O/c1-2-15-47(16-3-1)53-37-44-60(68(46-53)72-66-28-9-6-22-62(66)63-23-7-10-29-67(63)72)51-35-42-57(43-36-51)71(56-40-33-50(34-41-56)59-25-13-18-49-17-4-5-21-58(49)59)55-38-31-48(32-39-55)52-19-12-20-54(45-52)61-26-14-27-65-64-24-8-11-30-69(64)73-70(61)65/h1-46H.
What are the key properties of N-[4-(2-carbazol-9-yl-4-phenylphenyl)phenyl]-4-(3-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline?
N-[4-(2-carbazol-9-yl-4-phenylphenyl)phenyl]-4-(3-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline has a molecular weight of 931.15 g/mol, XLogP of 19.64, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-carbazol-9-yl-4-phenylphenyl)phenyl]-4-(3-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline is sourced from PubChem (CID 139545368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).