N-[4-[4-(3,6-diphenyl-[1]benzofuro[3,2-b]indol-10-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

C62H42N2O — CID 118150067

IUPACN-[4-[4-(3,6-diphenyl-[1]benzofuro[3,2-b]indol-10-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-n5c6ccc(-c7ccccc7)cc6c6oc7c(-c8ccccc8)cccc7c65)cc4)cc3)cc2)cc1
InChIInChI=1S/C62H42N2O/c1-5-14-43(15-6-1)46-24-33-52(34-25-46)63(53-35-26-47(27-36-53)44-16-7-2-8-17-44)54-37-28-48(29-38-54)49-30-39-55(40-31-49)64-59-41-32-51(45-18-9-3-10-19-45)42-58(59)62-60(64)57-23-13-22-56(61(57)65-62)50-20-11-4-12-21-50/h1-42H
InChIKeyVATHWYBHDQSFHQ-UHFFFAOYSA-N
MW831.03 g/mol
LogP17.33
Rot. Bonds9

About N-[4-[4-(3,6-diphenyl-[1]benzofuro[3,2-b]indol-10-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

N-[4-[4-(3,6-diphenyl-[1]benzofuro[3,2-b]indol-10-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 118150067) has the molecular formula C62H42N2O and a molecular weight of 831.03 g/mol. Its IUPAC name is N-[4-[4-(3,6-diphenyl-[1]benzofuro[3,2-b]indol-10-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-[4-(3,6-diphenyl-[1]benzofuro[3,2-b]indol-10-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
PubChem CID118150067
Molecular FormulaC62H42N2O
Molecular Weight831.03 g/mol
Exact Mass830.33
IUPAC NameN-[4-[4-(3,6-diphenyl-[1]benzofuro[3,2-b]indol-10-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-n5c6ccc(-c7ccccc7)cc6c6oc7c(-c8ccccc8)cccc7c65)cc4)cc3)cc2)cc1
InChIInChI=1S/C62H42N2O/c1-5-14-43(15-6-1)46-24-33-52(34-25-46)63(53-35-26-47(27-36-53)44-16-7-2-8-17-44)54-37-28-48(29-38-54)49-30-39-55(40-31-49)64-59-41-32-51(45-18-9-3-10-19-45)42-58(59)62-60(64)57-23-13-22-56(61(57)65-62)50-20-11-4-12-21-50/h1-42H
InChIKeyVATHWYBHDQSFHQ-UHFFFAOYSA-N
XLogP17.33
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500831.03
LogP ≤ 517.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-phenyl-N-[4-[4-(6-phenyl-[1]benzofuro[3,2-b]indol-10-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 118150060
4-phenyl-N-[4-(10-phenyl-[1]benzofuro[3,2-b]indol-6-yl)phenyl]-N-(4-phenylphenyl)aniline;4-phenyl-N-[4-(10-phenyl-[1]benzofuro[3,2-b]indol-6-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 158182642
N-(4-carbazol-9-ylphenyl)-4-naphthalen-1-yl-N-[4-(10-phenyl-[1]benzofuro[3,2-b]indol-6-yl)phenyl]aniline;N-(4-carbazol-9-ylphenyl)-4-phenyl-N-[4-(10-phenyl-[1]benzofuro[3,2-b]indol-6-yl)phenyl]aniline
CID 159625965
N-[4-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 90207163
N-(4-carbazol-9-ylphenyl)-4-(6-phenyldibenzofuran-2-yl)-N-[4-(2-phenylphenyl)phenyl]aniline
CID 168804257
N-(4-naphthalen-1-ylphenyl)-N-[4-(10-phenyl-[1]benzofuro[3,2-b]indol-6-yl)phenyl]dibenzofuran-3-amine;N-[4-(10-phenyl-[1]benzofuro[3,2-b]indol-6-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 162093583
N,N-diphenyl-4-[6-(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]aniline
CID 90125795
1-N-[4-[6-(4-dibenzofuran-4-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]-4-N,4-N-bis[4-(N-[4-[6-(4-dibenzofuran-4-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]anilino)phenyl]-1-N-phenylbenzene-1,4-diamine
CID 118402476
4-phenyl-N-[4-[3-[4-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 121296601
4-[9-(4-dibenzofuran-4-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-N,N-diphenylaniline
CID 164786369
N,N-diphenyl-3-[4-(18-phenyl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaen-12-yl)phenyl]aniline
CID 121286448
N-(4-benzo[a]carbazol-11-ylphenyl)-4-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline
CID 168805504

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(3,6-diphenyl-[1]benzofuro[3,2-b]indol-10-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The IUPAC name of N-[4-[4-(3,6-diphenyl-[1]benzofuro[3,2-b]indol-10-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (CID 118150067) is N-[4-[4-(3,6-diphenyl-[1]benzofuro[3,2-b]indol-10-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-[4-[4-(3,6-diphenyl-[1]benzofuro[3,2-b]indol-10-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-[4-[4-(3,6-diphenyl-[1]benzofuro[3,2-b]indol-10-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-n5c6ccc(-c7ccccc7)cc6c6oc7c(-c8ccccc8)cccc7c65)cc4)cc3)cc2)cc1.
What is the InChIKey of N-[4-[4-(3,6-diphenyl-[1]benzofuro[3,2-b]indol-10-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The InChIKey is VATHWYBHDQSFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H42N2O/c1-5-14-43(15-6-1)46-24-33-52(34-25-46)63(53-35-26-47(27-36-53)44-16-7-2-8-17-44)54-37-28-48(29-38-54)49-30-39-55(40-31-49)64-59-41-32-51(45-18-9-3-10-19-45)42-58(59)62-60(64)57-23-13-22-56(61(57)65-62)50-20-11-4-12-21-50/h1-42H.
What are the key properties of N-[4-[4-(3,6-diphenyl-[1]benzofuro[3,2-b]indol-10-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
N-[4-[4-(3,6-diphenyl-[1]benzofuro[3,2-b]indol-10-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline has a molecular weight of 831.03 g/mol, XLogP of 17.33, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(3,6-diphenyl-[1]benzofuro[3,2-b]indol-10-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 118150067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).