N-[4-[4-(1-adamantyl)phenyl]phenyl]-3-carbazol-9-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline

C62H50N2 — CID 169028546

IUPACN-[4-[4-(1-adamantyl)phenyl]phenyl]-3-carbazol-9-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
SMILESc1ccc(-c2cccc3cccc(-c4ccc(N(c5ccc(-c6ccc(C78CC9CC(CC(C9)C7)C8)cc6)cc5)c5cccc(-n6c7ccccc7c7ccccc76)c5)cc4)c23)cc1
InChIInChI=1S/C62H50N2/c1-2-11-47(12-3-1)55-19-8-13-49-14-9-20-56(61(49)55)48-27-33-52(34-28-48)63(53-15-10-16-54(38-53)64-59-21-6-4-17-57(59)58-18-5-7-22-60(58)64)51-31-25-46(26-32-51)45-23-29-50(30-24-45)62-39-42-35-43(40-62)37-44(36-42)41-62/h1-34,38,42-44H,35-37,39-41H2
InChIKeyJNIWCBFOMBLDCR-UHFFFAOYSA-N
MW823.10 g/mol
LogP16.88
Rot. Bonds8

About N-[4-[4-(1-adamantyl)phenyl]phenyl]-3-carbazol-9-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline

N-[4-[4-(1-adamantyl)phenyl]phenyl]-3-carbazol-9-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline (PubChem CID 169028546) has the molecular formula C62H50N2 and a molecular weight of 823.10 g/mol. Its IUPAC name is N-[4-[4-(1-adamantyl)phenyl]phenyl]-3-carbazol-9-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline.

Molecular Properties

Compound NameN-[4-[4-(1-adamantyl)phenyl]phenyl]-3-carbazol-9-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
PubChem CID169028546
Molecular FormulaC62H50N2
Molecular Weight823.10 g/mol
Exact Mass822.40
IUPAC NameN-[4-[4-(1-adamantyl)phenyl]phenyl]-3-carbazol-9-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
SMILESc1ccc(-c2cccc3cccc(-c4ccc(N(c5ccc(-c6ccc(C78CC9CC(CC(C9)C7)C8)cc6)cc5)c5cccc(-n6c7ccccc7c7ccccc76)c5)cc4)c23)cc1
InChIInChI=1S/C62H50N2/c1-2-11-47(12-3-1)55-19-8-13-49-14-9-20-56(61(49)55)48-27-33-52(34-28-48)63(53-15-10-16-54(38-53)64-59-21-6-4-17-57(59)58-18-5-7-22-60(58)64)51-31-25-46(26-32-51)45-23-29-50(30-24-45)62-39-42-35-43(40-62)37-44(36-42)41-62/h1-34,38,42-44H,35-37,39-41H2
InChIKeyJNIWCBFOMBLDCR-UHFFFAOYSA-N
XLogP16.88
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500823.10
LogP ≤ 516.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[4-(1-adamantyl)phenyl]phenyl]-3-(3-carbazol-9-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 169028274
4-[4-(1-adamantyl)phenyl]-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 169028748
3-carbazol-9-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170379993
3-N-[3-(N-[4-(1-adamantyl)phenyl]anilino)phenyl]-1-N,1-N-diphenyl-3-N-(9-phenylcarbazol-3-yl)benzene-1,3-diamine
CID 177275902
4-[3-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170380140
N-[4-(1-adamantyl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-3-amine
CID 169028373
N-[4-[4-(1-adamantyl)phenyl]phenyl]-N-[3-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine
CID 169028650
3-carbazol-9-yl-N-[4-(8-naphthalen-2-ylnaphthalen-1-yl)phenyl]-N-phenylaniline
CID 170380197
N-(3-carbazol-9-ylphenyl)-9,10-diphenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]anthracen-2-amine
CID 168798372
3-carbazol-9-yl-N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170380029
N,4-diphenyl-N-[4-[8-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenyl]aniline
CID 169016056
N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-2-amine
CID 130204001

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(1-adamantyl)phenyl]phenyl]-3-carbazol-9-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline?
The IUPAC name of N-[4-[4-(1-adamantyl)phenyl]phenyl]-3-carbazol-9-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline (CID 169028546) is N-[4-[4-(1-adamantyl)phenyl]phenyl]-3-carbazol-9-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline.
What is the SMILES notation for N-[4-[4-(1-adamantyl)phenyl]phenyl]-3-carbazol-9-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline?
The canonical SMILES for N-[4-[4-(1-adamantyl)phenyl]phenyl]-3-carbazol-9-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline is c1ccc(-c2cccc3cccc(-c4ccc(N(c5ccc(-c6ccc(C78CC9CC(CC(C9)C7)C8)cc6)cc5)c5cccc(-n6c7ccccc7c7ccccc76)c5)cc4)c23)cc1.
What is the InChIKey of N-[4-[4-(1-adamantyl)phenyl]phenyl]-3-carbazol-9-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline?
The InChIKey is JNIWCBFOMBLDCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H50N2/c1-2-11-47(12-3-1)55-19-8-13-49-14-9-20-56(61(49)55)48-27-33-52(34-28-48)63(53-15-10-16-54(38-53)64-59-21-6-4-17-57(59)58-18-5-7-22-60(58)64)51-31-25-46(26-32-51)45-23-29-50(30-24-45)62-39-42-35-43(40-62)37-44(36-42)41-62/h1-34,38,42-44H,35-37,39-41H2.
What are the key properties of N-[4-[4-(1-adamantyl)phenyl]phenyl]-3-carbazol-9-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline?
N-[4-[4-(1-adamantyl)phenyl]phenyl]-3-carbazol-9-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline has a molecular weight of 823.10 g/mol, XLogP of 16.88, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(1-adamantyl)phenyl]phenyl]-3-carbazol-9-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline is sourced from PubChem (CID 169028546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).