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

C48H41N — CID 176764801

IUPACN-phenyl-N-[3-(3-phenylphenyl)phenyl]-2-(9,9,10,10-tetramethylphenanthren-2-yl)aniline
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccccc3N(c3ccccc3)c3cccc(-c4cccc(-c5ccccc5)c4)c3)cc2C1(C)C
InChIInChI=1S/C48H41N/c1-47(2)44-27-13-11-26-42(44)43-30-29-38(33-45(43)48(47,3)4)41-25-12-14-28-46(41)49(39-22-9-6-10-23-39)40-24-16-21-37(32-40)36-20-15-19-35(31-36)34-17-7-5-8-18-34/h5-33H,1-4H3
InChIKeyKJMXDORCOIIPLR-UHFFFAOYSA-N
MW631.86 g/mol
LogP13.39
Rot. Bonds6

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

N-phenyl-N-[3-(3-phenylphenyl)phenyl]-2-(9,9,10,10-tetramethylphenanthren-2-yl)aniline (PubChem CID 176764801) has the molecular formula C48H41N and a molecular weight of 631.86 g/mol. Its IUPAC name is N-phenyl-N-[3-(3-phenylphenyl)phenyl]-2-(9,9,10,10-tetramethylphenanthren-2-yl)aniline.

Molecular Properties

Compound NameN-phenyl-N-[3-(3-phenylphenyl)phenyl]-2-(9,9,10,10-tetramethylphenanthren-2-yl)aniline
PubChem CID176764801
Molecular FormulaC48H41N
Molecular Weight631.86 g/mol
Exact Mass631.32
IUPAC NameN-phenyl-N-[3-(3-phenylphenyl)phenyl]-2-(9,9,10,10-tetramethylphenanthren-2-yl)aniline
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccccc3N(c3ccccc3)c3cccc(-c4cccc(-c5ccccc5)c4)c3)cc2C1(C)C
InChIInChI=1S/C48H41N/c1-47(2)44-27-13-11-26-42(44)43-30-29-38(33-45(43)48(47,3)4)41-25-12-14-28-46(41)49(39-22-9-6-10-23-39)40-24-16-21-37(32-40)36-20-15-19-35(31-36)34-17-7-5-8-18-34/h5-33H,1-4H3
InChIKeyKJMXDORCOIIPLR-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

N-phenyl-3-(4-phenylphenyl)-N-[3-(9,9,10,10-tetramethylphenanthren-2-yl)phenyl]aniline
CID 176764738
9,9-dimethyl-7-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-7-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-7-(2-phenylphenyl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine
CID 159012836
N-phenyl-N-[3-(9,9,10,10-tetramethylphenanthren-3-yl)phenyl]-2-triphenylen-2-ylaniline
CID 176764742
4-phenyl-N-(4-phenylphenyl)-N-[4-(9,9,10,10-tetramethylphenanthren-2-yl)phenyl]aniline
CID 176764668
N-(9,9-dimethylfluoren-1-yl)-9,9,10,10-tetramethyl-N-phenyl-6-(3-phenylphenyl)phenanthren-2-amine
CID 163615776
9,9,10,10-tetramethyl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine
CID 163608634
9,9,10,10-tetramethyl-N-phenyl-N-[3-(9,9,10,10-tetramethyl-7-phenylphenanthren-4-yl)phenyl]phenanthren-3-amine
CID 163438954
2-(9,9-dimethylfluoren-2-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(3-phenylphenyl)aniline
CID 170142044
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)aniline
CID 167324461
N,2-diphenyl-N-[3-(9,9,10,10-tetraphenylphenanthren-3-yl)phenyl]aniline;N,4-diphenyl-N-[4-(9,9,10,10-tetraphenylphenanthren-3-yl)phenyl]aniline;N,N,3-triphenyl-5-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)aniline
CID 163838699
N,3-diphenyl-N-[3-(9,9,10,10-tetramethylphenanthren-1-yl)phenyl]aniline
CID 163815741
N,N-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-(2-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 157078177

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[3-(3-phenylphenyl)phenyl]-2-(9,9,10,10-tetramethylphenanthren-2-yl)aniline?
The IUPAC name of N-phenyl-N-[3-(3-phenylphenyl)phenyl]-2-(9,9,10,10-tetramethylphenanthren-2-yl)aniline (CID 176764801) is N-phenyl-N-[3-(3-phenylphenyl)phenyl]-2-(9,9,10,10-tetramethylphenanthren-2-yl)aniline.
What is the SMILES notation for N-phenyl-N-[3-(3-phenylphenyl)phenyl]-2-(9,9,10,10-tetramethylphenanthren-2-yl)aniline?
The canonical SMILES for N-phenyl-N-[3-(3-phenylphenyl)phenyl]-2-(9,9,10,10-tetramethylphenanthren-2-yl)aniline is CC1(C)c2ccccc2-c2ccc(-c3ccccc3N(c3ccccc3)c3cccc(-c4cccc(-c5ccccc5)c4)c3)cc2C1(C)C.
What is the InChIKey of N-phenyl-N-[3-(3-phenylphenyl)phenyl]-2-(9,9,10,10-tetramethylphenanthren-2-yl)aniline?
The InChIKey is KJMXDORCOIIPLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H41N/c1-47(2)44-27-13-11-26-42(44)43-30-29-38(33-45(43)48(47,3)4)41-25-12-14-28-46(41)49(39-22-9-6-10-23-39)40-24-16-21-37(32-40)36-20-15-19-35(31-36)34-17-7-5-8-18-34/h5-33H,1-4H3.
What are the key properties of N-phenyl-N-[3-(3-phenylphenyl)phenyl]-2-(9,9,10,10-tetramethylphenanthren-2-yl)aniline?
N-phenyl-N-[3-(3-phenylphenyl)phenyl]-2-(9,9,10,10-tetramethylphenanthren-2-yl)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-N-[3-(3-phenylphenyl)phenyl]-2-(9,9,10,10-tetramethylphenanthren-2-yl)aniline is sourced from PubChem (CID 176764801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).