N-[4-[3-(1,2-dihydrocarbazol-9-yl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-8-ylaniline

C62H42N2O — CID 174280764

IUPACN-[4-[3-(1,2-dihydrocarbazol-9-yl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-8-ylaniline
SMILESC1=Cc2c(n(-c3cccc(-c4ccc(N(c5ccc(-c6cccc7ccccc67)cc5)c5ccccc5-c5ccc6oc7c8ccccc8ccc7c6c5)cc4)c3)c3ccccc23)CC1
InChIInChI=1S/C62H42N2O/c1-3-18-50-42(13-1)15-12-23-51(50)44-29-35-48(36-30-44)63(58-24-8-5-19-52(58)46-32-38-61-57(40-46)56-37-31-43-14-2-4-20-53(43)62(56)65-61)47-33-27-41(28-34-47)45-16-11-17-49(39-45)64-59-25-9-6-21-54(59)55-22-7-10-26-60(55)64/h1-9,11-25,27-40H,10,26H2
InChIKeyZTBFUBPOQVOAKQ-UHFFFAOYSA-N
MW831.03 g/mol
LogP17.27
Rot. Bonds7

About N-[4-[3-(1,2-dihydrocarbazol-9-yl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-8-ylaniline

N-[4-[3-(1,2-dihydrocarbazol-9-yl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-8-ylaniline (PubChem CID 174280764) has the molecular formula C62H42N2O and a molecular weight of 831.03 g/mol. Its IUPAC name is N-[4-[3-(1,2-dihydrocarbazol-9-yl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-8-ylaniline.

Molecular Properties

Compound NameN-[4-[3-(1,2-dihydrocarbazol-9-yl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-8-ylaniline
PubChem CID174280764
Molecular FormulaC62H42N2O
Molecular Weight831.03 g/mol
Exact Mass830.33
IUPAC NameN-[4-[3-(1,2-dihydrocarbazol-9-yl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-8-ylaniline
SMILESC1=Cc2c(n(-c3cccc(-c4ccc(N(c5ccc(-c6cccc7ccccc67)cc5)c5ccccc5-c5ccc6oc7c8ccccc8ccc7c6c5)cc4)c3)c3ccccc23)CC1
InChIInChI=1S/C62H42N2O/c1-3-18-50-42(13-1)15-12-23-51(50)44-29-35-48(36-30-44)63(58-24-8-5-19-52(58)46-32-38-61-57(40-46)56-37-31-43-14-2-4-20-53(43)62(56)65-61)47-33-27-41(28-34-47)45-16-11-17-49(39-45)64-59-25-9-6-21-54(59)55-22-7-10-26-60(55)64/h1-9,11-25,27-40H,10,26H2
InChIKeyZTBFUBPOQVOAKQ-UHFFFAOYSA-N
XLogP17.27
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500831.03
LogP ≤ 517.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-2-[3-(9-phenyl-7,8-dihydrocarbazol-4-yl)phenyl]aniline
CID 167195042
N-(2-carbazol-9-ylphenyl)-N-[4-(3-carbazol-9-ylphenyl)phenyl]-2-naphtho[1,2-b][1]benzofuran-8-ylaniline
CID 174288041
N-(3-naphtho[1,2-b][1]benzofuran-8-ylphenyl)-2-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)aniline
CID 167330599
N-[4-[4-(1,2-dihydrocarbazol-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 155323237
N-[4-[4-(5,6-dihydronaphthalen-1-yl)phenyl]phenyl]-N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)naphthalen-2-amine
CID 174273303
4-(3-cyclohexa-1,3-dien-1-ylphenyl)-N-[4-[3-(1,2-dihydrocarbazol-9-yl)phenyl]phenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]aniline
CID 166571246
N-(4-dibenzofuran-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-8-ylaniline
CID 174281108
N-(4-naphthalen-1-ylphenyl)-N-[3-(9-phenyl-7,8-dihydrocarbazol-4-yl)phenyl]naphthalen-1-amine
CID 167195728
N-(4-naphthalen-1-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)dibenzofuran-2-amine
CID 174280847
N-(3-naphthalen-1-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-8-yl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 174273092
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-2-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)aniline
CID 167330428
N-(4-carbazol-9-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-8-yl-N-phenylaniline
CID 174280518

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(1,2-dihydrocarbazol-9-yl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-8-ylaniline?
The IUPAC name of N-[4-[3-(1,2-dihydrocarbazol-9-yl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-8-ylaniline (CID 174280764) is N-[4-[3-(1,2-dihydrocarbazol-9-yl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-8-ylaniline.
What is the SMILES notation for N-[4-[3-(1,2-dihydrocarbazol-9-yl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-8-ylaniline?
The canonical SMILES for N-[4-[3-(1,2-dihydrocarbazol-9-yl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-8-ylaniline is C1=Cc2c(n(-c3cccc(-c4ccc(N(c5ccc(-c6cccc7ccccc67)cc5)c5ccccc5-c5ccc6oc7c8ccccc8ccc7c6c5)cc4)c3)c3ccccc23)CC1.
What is the InChIKey of N-[4-[3-(1,2-dihydrocarbazol-9-yl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-8-ylaniline?
The InChIKey is ZTBFUBPOQVOAKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H42N2O/c1-3-18-50-42(13-1)15-12-23-51(50)44-29-35-48(36-30-44)63(58-24-8-5-19-52(58)46-32-38-61-57(40-46)56-37-31-43-14-2-4-20-53(43)62(56)65-61)47-33-27-41(28-34-47)45-16-11-17-49(39-45)64-59-25-9-6-21-54(59)55-22-7-10-26-60(55)64/h1-9,11-25,27-40H,10,26H2.
What are the key properties of N-[4-[3-(1,2-dihydrocarbazol-9-yl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-8-ylaniline?
N-[4-[3-(1,2-dihydrocarbazol-9-yl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-8-ylaniline has a molecular weight of 831.03 g/mol, XLogP of 17.27, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(1,2-dihydrocarbazol-9-yl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-8-ylaniline is sourced from PubChem (CID 174280764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).