9,9,10,10-tetramethyl-N-phenyl-N-[3-(9,9,10,10-tetramethyl-7-phenylphenanthren-4-yl)phenyl]phenanthren-3-amine

C54H51N — CID 163438954

IUPAC9,9,10,10-tetramethyl-N-phenyl-N-[3-(9,9,10,10-tetramethyl-7-phenylphenanthren-4-yl)phenyl]phenanthren-3-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccccc3)c3cccc(-c4cccc5c4-c4ccc(-c6ccccc6)cc4C(C)(C)C5(C)C)c3)ccc2C1(C)C
InChIInChI=1S/C54H51N/c1-51(2)46-27-16-15-25-43(46)45-35-41(30-32-47(45)52(51,3)4)55(39-22-13-10-14-23-39)40-24-17-21-38(33-40)42-26-18-28-48-50(42)44-31-29-37(36-19-11-9-12-20-36)34-49(44)54(7,8)53(48,5)6/h9-35H,1-8H3
InChIKeyAYBWHVGLHYIJJF-UHFFFAOYSA-N
MW714.01 g/mol
LogP14.96
Rot. Bonds5

About 9,9,10,10-tetramethyl-N-phenyl-N-[3-(9,9,10,10-tetramethyl-7-phenylphenanthren-4-yl)phenyl]phenanthren-3-amine

9,9,10,10-tetramethyl-N-phenyl-N-[3-(9,9,10,10-tetramethyl-7-phenylphenanthren-4-yl)phenyl]phenanthren-3-amine (PubChem CID 163438954) has the molecular formula C54H51N and a molecular weight of 714.01 g/mol. Its IUPAC name is 9,9,10,10-tetramethyl-N-phenyl-N-[3-(9,9,10,10-tetramethyl-7-phenylphenanthren-4-yl)phenyl]phenanthren-3-amine.

Molecular Properties

Compound Name9,9,10,10-tetramethyl-N-phenyl-N-[3-(9,9,10,10-tetramethyl-7-phenylphenanthren-4-yl)phenyl]phenanthren-3-amine
PubChem CID163438954
Molecular FormulaC54H51N
Molecular Weight714.01 g/mol
Exact Mass713.40
IUPAC Name9,9,10,10-tetramethyl-N-phenyl-N-[3-(9,9,10,10-tetramethyl-7-phenylphenanthren-4-yl)phenyl]phenanthren-3-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccccc3)c3cccc(-c4cccc5c4-c4ccc(-c6ccccc6)cc4C(C)(C)C5(C)C)c3)ccc2C1(C)C
InChIInChI=1S/C54H51N/c1-51(2)46-27-16-15-25-43(46)45-35-41(30-32-47(45)52(51,3)4)55(39-22-13-10-14-23-39)40-24-17-21-38(33-40)42-26-18-28-48-50(42)44-31-29-37(36-19-11-9-12-20-36)34-49(44)54(7,8)53(48,5)6/h9-35H,1-8H3
InChIKeyAYBWHVGLHYIJJF-UHFFFAOYSA-N
XLogP14.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.01
LogP ≤ 514.96
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-4-yl)phenyl]aniline
CID 176764796
N-phenyl-3-(4-phenylphenyl)-N-[3-(9,9,10,10-tetramethylphenanthren-2-yl)phenyl]aniline
CID 176764738
N,N,3-triphenyl-5-(9,9,10,10-tetramethyl-7-phenylphenanthren-4-yl)aniline
CID 163566029
9,9,10,10-tetramethyl-7-phenyl-N-(9,9,10,10-tetramethylphenanthren-2-yl)-N-(9,9,10,10-tetramethylphenanthren-3-yl)phenanthren-4-amine
CID 163606752
4-phenyl-N-(4-phenylphenyl)-N-[4-(9,9,10,10-tetramethylphenanthren-2-yl)phenyl]aniline
CID 176764668
3-(9,9-dimethylfluoren-2-yl)-N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]aniline;3-(9,9-dimethylfluoren-2-yl)-N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]aniline;3-(9,9-dimethylfluoren-2-yl)-N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]aniline
CID 163849561
9,9,10,10-tetramethyl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine
CID 163608634
9,9,10,10-tetramethyl-N,N-bis(4-phenylphenyl)phenanthren-2-amine
CID 163436453
N,N-diphenyl-3-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)aniline
CID 163966950
N,3-diphenyl-N-[3-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)phenyl]aniline
CID 163502373
N-phenyl-N-[3-(3-phenylphenyl)phenyl]-2-(9,9,10,10-tetramethylphenanthren-2-yl)aniline
CID 176764801
3-(9,9-dimethylfluoren-4-yl)-N-[3-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 154972984

Frequently Asked Questions

What is the IUPAC name of 9,9,10,10-tetramethyl-N-phenyl-N-[3-(9,9,10,10-tetramethyl-7-phenylphenanthren-4-yl)phenyl]phenanthren-3-amine?
The IUPAC name of 9,9,10,10-tetramethyl-N-phenyl-N-[3-(9,9,10,10-tetramethyl-7-phenylphenanthren-4-yl)phenyl]phenanthren-3-amine (CID 163438954) is 9,9,10,10-tetramethyl-N-phenyl-N-[3-(9,9,10,10-tetramethyl-7-phenylphenanthren-4-yl)phenyl]phenanthren-3-amine.
What is the SMILES notation for 9,9,10,10-tetramethyl-N-phenyl-N-[3-(9,9,10,10-tetramethyl-7-phenylphenanthren-4-yl)phenyl]phenanthren-3-amine?
The canonical SMILES for 9,9,10,10-tetramethyl-N-phenyl-N-[3-(9,9,10,10-tetramethyl-7-phenylphenanthren-4-yl)phenyl]phenanthren-3-amine is CC1(C)c2ccccc2-c2cc(N(c3ccccc3)c3cccc(-c4cccc5c4-c4ccc(-c6ccccc6)cc4C(C)(C)C5(C)C)c3)ccc2C1(C)C.
What is the InChIKey of 9,9,10,10-tetramethyl-N-phenyl-N-[3-(9,9,10,10-tetramethyl-7-phenylphenanthren-4-yl)phenyl]phenanthren-3-amine?
The InChIKey is AYBWHVGLHYIJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H51N/c1-51(2)46-27-16-15-25-43(46)45-35-41(30-32-47(45)52(51,3)4)55(39-22-13-10-14-23-39)40-24-17-21-38(33-40)42-26-18-28-48-50(42)44-31-29-37(36-19-11-9-12-20-36)34-49(44)54(7,8)53(48,5)6/h9-35H,1-8H3.
What are the key properties of 9,9,10,10-tetramethyl-N-phenyl-N-[3-(9,9,10,10-tetramethyl-7-phenylphenanthren-4-yl)phenyl]phenanthren-3-amine?
9,9,10,10-tetramethyl-N-phenyl-N-[3-(9,9,10,10-tetramethyl-7-phenylphenanthren-4-yl)phenyl]phenanthren-3-amine has a molecular weight of 714.01 g/mol, XLogP of 14.96, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9,10,10-tetramethyl-N-phenyl-N-[3-(9,9,10,10-tetramethyl-7-phenylphenanthren-4-yl)phenyl]phenanthren-3-amine is sourced from PubChem (CID 163438954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).