N-phenyl-3-(4-phenylphenyl)-N-[3-(9,9,10,10-tetramethylphenanthren-2-yl)phenyl]aniline

C48H41N — CID 176764738

IUPACN-phenyl-3-(4-phenylphenyl)-N-[3-(9,9,10,10-tetramethylphenanthren-2-yl)phenyl]aniline
SMILESCC1(C)c2ccccc2-c2ccc(-c3cccc(N(c4ccccc4)c4cccc(-c5ccc(-c6ccccc6)cc5)c4)c3)cc2C1(C)C
InChIInChI=1S/C48H41N/c1-47(2)45-24-12-11-23-43(45)44-30-29-39(33-46(44)48(47,3)4)38-18-14-22-42(32-38)49(40-19-9-6-10-20-40)41-21-13-17-37(31-41)36-27-25-35(26-28-36)34-15-7-5-8-16-34/h5-33H,1-4H3
InChIKeyCPXUGGHUEOQYCN-UHFFFAOYSA-N
MW631.86 g/mol
LogP13.39
Rot. Bonds6

About N-phenyl-3-(4-phenylphenyl)-N-[3-(9,9,10,10-tetramethylphenanthren-2-yl)phenyl]aniline

N-phenyl-3-(4-phenylphenyl)-N-[3-(9,9,10,10-tetramethylphenanthren-2-yl)phenyl]aniline (PubChem CID 176764738) has the molecular formula C48H41N and a molecular weight of 631.86 g/mol. Its IUPAC name is N-phenyl-3-(4-phenylphenyl)-N-[3-(9,9,10,10-tetramethylphenanthren-2-yl)phenyl]aniline.

Molecular Properties

Compound NameN-phenyl-3-(4-phenylphenyl)-N-[3-(9,9,10,10-tetramethylphenanthren-2-yl)phenyl]aniline
PubChem CID176764738
Molecular FormulaC48H41N
Molecular Weight631.86 g/mol
Exact Mass631.32
IUPAC NameN-phenyl-3-(4-phenylphenyl)-N-[3-(9,9,10,10-tetramethylphenanthren-2-yl)phenyl]aniline
SMILESCC1(C)c2ccccc2-c2ccc(-c3cccc(N(c4ccccc4)c4cccc(-c5ccc(-c6ccccc6)cc5)c4)c3)cc2C1(C)C
InChIInChI=1S/C48H41N/c1-47(2)45-24-12-11-23-43(45)44-30-29-39(33-46(44)48(47,3)4)38-18-14-22-42(32-38)49(40-19-9-6-10-20-40)41-21-13-17-37(31-41)36-27-25-35(26-28-36)34-15-7-5-8-16-34/h5-33H,1-4H3
InChIKeyCPXUGGHUEOQYCN-UHFFFAOYSA-N
XLogP13.39
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500631.86
LogP ≤ 513.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-phenyl-N-(4-phenylphenyl)-N-[4-(9,9,10,10-tetramethylphenanthren-2-yl)phenyl]aniline
CID 176764668
9,9,10,10-tetramethyl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine
CID 163608634
N-phenyl-N-[3-(3-phenylphenyl)phenyl]-2-(9,9,10,10-tetramethylphenanthren-2-yl)aniline
CID 176764801
9,9,10,10-tetramethyl-N,N-bis(4-phenylphenyl)phenanthren-2-amine
CID 163436453
9,9,10,10-tetramethyl-N-phenyl-N-[3-(9,9,10,10-tetramethyl-7-phenylphenanthren-4-yl)phenyl]phenanthren-3-amine
CID 163438954
N,3-diphenyl-N-[3-(9,9,10,10-tetramethylphenanthren-1-yl)phenyl]aniline
CID 163815741
N,3-diphenyl-N-[3-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)phenyl]aniline
CID 163502373
N,N-diphenyl-3-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)aniline
CID 163966950
N-phenyl-3-(4-phenylphenyl)-N-[3-(9,9,10,10-tetramethylphenanthren-4-yl)phenyl]aniline
CID 176764796
N-[4-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 169230595
N,N,3-triphenyl-5-(9,9,10,10-tetramethyl-7-phenylphenanthren-4-yl)aniline
CID 163566029
9,9-dimethyl-7-phenyl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 131994094

Frequently Asked Questions

What is the IUPAC name of N-phenyl-3-(4-phenylphenyl)-N-[3-(9,9,10,10-tetramethylphenanthren-2-yl)phenyl]aniline?
The IUPAC name of N-phenyl-3-(4-phenylphenyl)-N-[3-(9,9,10,10-tetramethylphenanthren-2-yl)phenyl]aniline (CID 176764738) is N-phenyl-3-(4-phenylphenyl)-N-[3-(9,9,10,10-tetramethylphenanthren-2-yl)phenyl]aniline.
What is the SMILES notation for N-phenyl-3-(4-phenylphenyl)-N-[3-(9,9,10,10-tetramethylphenanthren-2-yl)phenyl]aniline?
The canonical SMILES for N-phenyl-3-(4-phenylphenyl)-N-[3-(9,9,10,10-tetramethylphenanthren-2-yl)phenyl]aniline is CC1(C)c2ccccc2-c2ccc(-c3cccc(N(c4ccccc4)c4cccc(-c5ccc(-c6ccccc6)cc5)c4)c3)cc2C1(C)C.
What is the InChIKey of N-phenyl-3-(4-phenylphenyl)-N-[3-(9,9,10,10-tetramethylphenanthren-2-yl)phenyl]aniline?
The InChIKey is CPXUGGHUEOQYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H41N/c1-47(2)45-24-12-11-23-43(45)44-30-29-39(33-46(44)48(47,3)4)38-18-14-22-42(32-38)49(40-19-9-6-10-20-40)41-21-13-17-37(31-41)36-27-25-35(26-28-36)34-15-7-5-8-16-34/h5-33H,1-4H3.
What are the key properties of N-phenyl-3-(4-phenylphenyl)-N-[3-(9,9,10,10-tetramethylphenanthren-2-yl)phenyl]aniline?
N-phenyl-3-(4-phenylphenyl)-N-[3-(9,9,10,10-tetramethylphenanthren-2-yl)phenyl]aniline has a molecular weight of 631.86 g/mol, XLogP of 13.39, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-3-(4-phenylphenyl)-N-[3-(9,9,10,10-tetramethylphenanthren-2-yl)phenyl]aniline is sourced from PubChem (CID 176764738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).