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

C104H66N4O2 — CID 167179628

IUPACN-(3-carbazol-9-ylphenyl)-3-[4-[9-[3-(4-dibenzofuran-3-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]carbazol-3-yl]naphthalen-1-yl]-N-(4-dibenzofuran-3-ylphenyl)aniline
SMILESc1cc(-c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3cccc(N(c4ccc(-c5ccc6c(c5)oc5ccccc56)cc4)c4ccc(-c5cccc6ccccc56)cc4)c3)c3ccccc23)cc(N(c2ccc(-c3ccc4c(c3)oc3ccccc34)cc2)c2cccc(-n3c4ccccc4c4ccccc43)c2)c1
InChIInChI=1S/C104H66N4O2/c1-2-27-83-69(19-1)20-16-35-84(83)70-45-54-76(55-46-70)105(75-50-41-67(42-51-75)71-47-56-94-92-33-8-13-39-101(92)109-103(94)63-71)79-23-17-26-82(65-79)108-99-38-12-7-32-91(99)96-62-74(49-60-100(96)108)86-59-58-85(87-28-3-4-29-88(86)87)73-21-15-22-78(61-73)106(77-52-43-68(44-53-77)72-48-57-95-93-34-9-14-40-102(93)110-104(95)64-72)80-24-18-25-81(66-80)107-97-36-10-5-30-89(97)90-31-6-11-37-98(90)107/h1-66H
InChIKeyMZRTVRHCZMBICL-UHFFFAOYSA-N
MW1403.70 g/mol
LogP29.26
Rot. Bonds13

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

N-(3-carbazol-9-ylphenyl)-3-[4-[9-[3-(4-dibenzofuran-3-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]carbazol-3-yl]naphthalen-1-yl]-N-(4-dibenzofuran-3-ylphenyl)aniline (PubChem CID 167179628) has the molecular formula C104H66N4O2 and a molecular weight of 1403.70 g/mol. Its IUPAC name is N-(3-carbazol-9-ylphenyl)-3-[4-[9-[3-(4-dibenzofuran-3-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]carbazol-3-yl]naphthalen-1-yl]-N-(4-dibenzofuran-3-ylphenyl)aniline.

Molecular Properties

Compound NameN-(3-carbazol-9-ylphenyl)-3-[4-[9-[3-(4-dibenzofuran-3-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]carbazol-3-yl]naphthalen-1-yl]-N-(4-dibenzofuran-3-ylphenyl)aniline
PubChem CID167179628
Molecular FormulaC104H66N4O2
Molecular Weight1403.70 g/mol
Exact Mass1402.52
IUPAC NameN-(3-carbazol-9-ylphenyl)-3-[4-[9-[3-(4-dibenzofuran-3-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]carbazol-3-yl]naphthalen-1-yl]-N-(4-dibenzofuran-3-ylphenyl)aniline
SMILESc1cc(-c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3cccc(N(c4ccc(-c5ccc6c(c5)oc5ccccc56)cc4)c4ccc(-c5cccc6ccccc56)cc4)c3)c3ccccc23)cc(N(c2ccc(-c3ccc4c(c3)oc3ccccc34)cc2)c2cccc(-n3c4ccccc4c4ccccc43)c2)c1
InChIInChI=1S/C104H66N4O2/c1-2-27-83-69(19-1)20-16-35-84(83)70-45-54-76(55-46-70)105(75-50-41-67(42-51-75)71-47-56-94-92-33-8-13-39-101(92)109-103(94)63-71)79-23-17-26-82(65-79)108-99-38-12-7-32-91(99)96-62-74(49-60-100(96)108)86-59-58-85(87-28-3-4-29-88(86)87)73-21-15-22-78(61-73)106(77-52-43-68(44-53-77)72-48-57-95-93-34-9-14-40-102(93)110-104(95)64-72)80-24-18-25-81(66-80)107-97-36-10-5-30-89(97)90-31-6-11-37-98(90)107/h1-66H
InChIKeyMZRTVRHCZMBICL-UHFFFAOYSA-N
XLogP29.26
TPSA42.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms110
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001403.70
LogP ≤ 529.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-(3-carbazol-9-ylphenyl)-3-[4-[9-[3-(4-dibenzofuran-3-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]carbazol-3-yl]naphthalen-1-yl]-N-(4-dibenzofuran-3-ylphenyl)aniline with MolForge

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Related Compounds

3-carbazol-9-yl-N-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline
CID 155398643
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-3-ylphenyl)-3-(2-phenylphenyl)aniline
CID 153314748
N-(4-naphthalen-1-ylphenyl)-4-phenyl-N-[4-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]aniline;N-(4-phenylphenyl)-N-[4-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]dibenzofuran-3-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]naphthalen-1-amine
CID 158555584
N-(3-carbazol-9-ylphenyl)-N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-3-phenylaniline
CID 153314771
N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-(4-dibenzofuran-3-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-(4-dibenzofuran-3-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-4-phenylaniline
CID 160869383
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-3-naphthalen-1-ylaniline
CID 146578264
3-carbazol-9-yl-N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline;3-carbazol-9-yl-N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)aniline;3-carbazol-9-yl-N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-N-(4-phenylphenyl)aniline;N-(3-carbazol-9-ylphenyl)-N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-2-(4-phenylphenyl)aniline
CID 158671562
4-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(2-dibenzofuran-3-ylphenyl)phenyl]-N-phenylaniline
CID 153314587
N-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-3-(3-phenylphenyl)aniline
CID 153315131
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-3-yl-N-(2-naphthalen-1-ylphenyl)aniline;N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-dibenzofuran-3-ylphenyl)-2-phenylaniline;N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-3-yl-N-(3-phenylphenyl)aniline;N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-3-yl-N-(4-phenylphenyl)aniline
CID 158595337
3-[2-dibenzofuran-3-yl-4-(9-phenylcarbazol-3-yl)phenyl]-N,N-diphenylaniline;bis(N-[3-[2-dibenzofuran-3-yl-4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine)
CID 162157282
N-[4-(3-carbazol-9-ylphenyl)phenyl]-3-(4-dibenzofuran-3-ylphenyl)-N-(4-phenylphenyl)aniline
CID 147399536

Frequently Asked Questions

What is the IUPAC name of N-(3-carbazol-9-ylphenyl)-3-[4-[9-[3-(4-dibenzofuran-3-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]carbazol-3-yl]naphthalen-1-yl]-N-(4-dibenzofuran-3-ylphenyl)aniline?
The IUPAC name of N-(3-carbazol-9-ylphenyl)-3-[4-[9-[3-(4-dibenzofuran-3-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]carbazol-3-yl]naphthalen-1-yl]-N-(4-dibenzofuran-3-ylphenyl)aniline (CID 167179628) is N-(3-carbazol-9-ylphenyl)-3-[4-[9-[3-(4-dibenzofuran-3-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]carbazol-3-yl]naphthalen-1-yl]-N-(4-dibenzofuran-3-ylphenyl)aniline.
What is the SMILES notation for N-(3-carbazol-9-ylphenyl)-3-[4-[9-[3-(4-dibenzofuran-3-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]carbazol-3-yl]naphthalen-1-yl]-N-(4-dibenzofuran-3-ylphenyl)aniline?
The canonical SMILES for N-(3-carbazol-9-ylphenyl)-3-[4-[9-[3-(4-dibenzofuran-3-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]carbazol-3-yl]naphthalen-1-yl]-N-(4-dibenzofuran-3-ylphenyl)aniline is c1cc(-c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3cccc(N(c4ccc(-c5ccc6c(c5)oc5ccccc56)cc4)c4ccc(-c5cccc6ccccc56)cc4)c3)c3ccccc23)cc(N(c2ccc(-c3ccc4c(c3)oc3ccccc34)cc2)c2cccc(-n3c4ccccc4c4ccccc43)c2)c1.
What is the InChIKey of N-(3-carbazol-9-ylphenyl)-3-[4-[9-[3-(4-dibenzofuran-3-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]carbazol-3-yl]naphthalen-1-yl]-N-(4-dibenzofuran-3-ylphenyl)aniline?
The InChIKey is MZRTVRHCZMBICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C104H66N4O2/c1-2-27-83-69(19-1)20-16-35-84(83)70-45-54-76(55-46-70)105(75-50-41-67(42-51-75)71-47-56-94-92-33-8-13-39-101(92)109-103(94)63-71)79-23-17-26-82(65-79)108-99-38-12-7-32-91(99)96-62-74(49-60-100(96)108)86-59-58-85(87-28-3-4-29-88(86)87)73-21-15-22-78(61-73)106(77-52-43-68(44-53-77)72-48-57-95-93-34-9-14-40-102(93)110-104(95)64-72)80-24-18-25-81(66-80)107-97-36-10-5-30-89(97)90-31-6-11-37-98(90)107/h1-66H.
What are the key properties of N-(3-carbazol-9-ylphenyl)-3-[4-[9-[3-(4-dibenzofuran-3-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]carbazol-3-yl]naphthalen-1-yl]-N-(4-dibenzofuran-3-ylphenyl)aniline?
N-(3-carbazol-9-ylphenyl)-3-[4-[9-[3-(4-dibenzofuran-3-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]carbazol-3-yl]naphthalen-1-yl]-N-(4-dibenzofuran-3-ylphenyl)aniline has a molecular weight of 1403.70 g/mol, XLogP of 29.26, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbazol-9-ylphenyl)-3-[4-[9-[3-(4-dibenzofuran-3-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]carbazol-3-yl]naphthalen-1-yl]-N-(4-dibenzofuran-3-ylphenyl)aniline is sourced from PubChem (CID 167179628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).