N-(3-dibenzofuran-4-ylphenyl)-2-(9-phenylcarbazol-2-yl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline

C64H42N2O — CID 170298522

IUPACN-(3-dibenzofuran-4-ylphenyl)-2-(9-phenylcarbazol-2-yl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
SMILESc1ccc(-c2cccc3cccc(-c4ccccc4N(c4cccc(-c5cccc6c5oc5ccccc56)c4)c4ccccc4-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c23)cc1
InChIInChI=1S/C64H42N2O/c1-3-19-43(20-4-1)50-31-16-21-44-22-17-33-56(63(44)50)53-29-9-13-37-60(53)66(48-26-15-23-45(41-48)51-32-18-34-57-55-30-10-14-38-62(55)67-64(51)57)58-35-11-7-27-49(58)46-39-40-54-52-28-8-12-36-59(52)65(61(54)42-46)47-24-5-2-6-25-47/h1-42H
InChIKeyIXSAHNYNZLPQEN-UHFFFAOYSA-N
MW855.05 g/mol
LogP17.97
Rot. Bonds8

About N-(3-dibenzofuran-4-ylphenyl)-2-(9-phenylcarbazol-2-yl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline

N-(3-dibenzofuran-4-ylphenyl)-2-(9-phenylcarbazol-2-yl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline (PubChem CID 170298522) has the molecular formula C64H42N2O and a molecular weight of 855.05 g/mol. Its IUPAC name is N-(3-dibenzofuran-4-ylphenyl)-2-(9-phenylcarbazol-2-yl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline.

Molecular Properties

Compound NameN-(3-dibenzofuran-4-ylphenyl)-2-(9-phenylcarbazol-2-yl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
PubChem CID170298522
Molecular FormulaC64H42N2O
Molecular Weight855.05 g/mol
Exact Mass854.33
IUPAC NameN-(3-dibenzofuran-4-ylphenyl)-2-(9-phenylcarbazol-2-yl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
SMILESc1ccc(-c2cccc3cccc(-c4ccccc4N(c4cccc(-c5cccc6c5oc5ccccc56)c4)c4ccccc4-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c23)cc1
InChIInChI=1S/C64H42N2O/c1-3-19-43(20-4-1)50-31-16-21-44-22-17-33-56(63(44)50)53-29-9-13-37-60(53)66(48-26-15-23-45(41-48)51-32-18-34-57-55-30-10-14-38-62(55)67-64(51)57)58-35-11-7-27-49(58)46-39-40-54-52-28-8-12-36-59(52)65(61(54)42-46)47-24-5-2-6-25-47/h1-42H
InChIKeyIXSAHNYNZLPQEN-UHFFFAOYSA-N
XLogP17.97
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500855.05
LogP ≤ 517.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-dibenzofuran-1-yl-N-[3-(9-phenylcarbazol-2-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170298543
N-[2-(9-phenylcarbazol-3-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine
CID 170298890
N-(3-carbazol-9-ylphenyl)-3-dibenzofuran-4-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 168798261
N-dibenzofuran-3-yl-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-2-amine
CID 170298904
N-(3-dibenzofuran-3-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170298395
N-[4-(3-carbazol-9-ylphenyl)phenyl]-2-(6-phenyldibenzofuran-1-yl)-N-[2-[3-[9-[3-[4-(3-phenyl-N-[2-(4-phenyldibenzofuran-1-yl)phenyl]anilino)phenyl]phenyl]carbazol-2-yl]phenyl]phenyl]aniline
CID 155398521
N-(3-dibenzofuran-2-ylphenyl)-N-[3-(9-phenylcarbazol-3-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170298779
2-(8-cyclohexylnaphthalen-1-yl)-N-(3-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline
CID 170299163
N-(3-dibenzofuran-1-ylphenyl)-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-1-amine
CID 170298498
N-[4-(4-carbazol-9-ylphenyl)phenyl]-2-phenyl-N-[3-(4-phenyldibenzofuran-1-yl)phenyl]aniline
CID 155398470
N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-[4-[4-[2-[2-(N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-4-phenylanilino)phenyl]carbazol-9-yl]phenyl]phenyl]phenyl]-9-phenylcarbazol-3-amine
CID 166939041
N-[4-(4-carbazol-9-ylphenyl)phenyl]-2-(4-phenyldibenzofuran-1-yl)-N-(4-phenylphenyl)aniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-2-(6-phenyldibenzofuran-1-yl)-N-(3-phenylphenyl)aniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-2-(6-phenyldibenzofuran-1-yl)-N-(4-phenylphenyl)aniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-3-(6-phenyldibenzofuran-1-yl)-N-(4-phenylphenyl)aniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-2-phenyl-N-[2-(4-phenyldibenzofuran-1-yl)phenyl]aniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-3-phenyl-N-[3-(6-phenyldibenzofuran-1-yl)phenyl]aniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-3-phenyl-N-[4-(6-phenyldibenzofuran-1-yl)phenyl]aniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-[4-(6-phenyldibenzofuran-1-yl)phenyl]aniline
CID 157489762

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzofuran-4-ylphenyl)-2-(9-phenylcarbazol-2-yl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline?
The IUPAC name of N-(3-dibenzofuran-4-ylphenyl)-2-(9-phenylcarbazol-2-yl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline (CID 170298522) is N-(3-dibenzofuran-4-ylphenyl)-2-(9-phenylcarbazol-2-yl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline.
What is the SMILES notation for N-(3-dibenzofuran-4-ylphenyl)-2-(9-phenylcarbazol-2-yl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline?
The canonical SMILES for N-(3-dibenzofuran-4-ylphenyl)-2-(9-phenylcarbazol-2-yl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline is c1ccc(-c2cccc3cccc(-c4ccccc4N(c4cccc(-c5cccc6c5oc5ccccc56)c4)c4ccccc4-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c23)cc1.
What is the InChIKey of N-(3-dibenzofuran-4-ylphenyl)-2-(9-phenylcarbazol-2-yl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline?
The InChIKey is IXSAHNYNZLPQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H42N2O/c1-3-19-43(20-4-1)50-31-16-21-44-22-17-33-56(63(44)50)53-29-9-13-37-60(53)66(48-26-15-23-45(41-48)51-32-18-34-57-55-30-10-14-38-62(55)67-64(51)57)58-35-11-7-27-49(58)46-39-40-54-52-28-8-12-36-59(52)65(61(54)42-46)47-24-5-2-6-25-47/h1-42H.
What are the key properties of N-(3-dibenzofuran-4-ylphenyl)-2-(9-phenylcarbazol-2-yl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline?
N-(3-dibenzofuran-4-ylphenyl)-2-(9-phenylcarbazol-2-yl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline has a molecular weight of 855.05 g/mol, XLogP of 17.97, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-dibenzofuran-4-ylphenyl)-2-(9-phenylcarbazol-2-yl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline is sourced from PubChem (CID 170298522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).