9,9,10,10-tetramethyl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine

C42H37N — CID 163608634

IUPAC9,9,10,10-tetramethyl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)cc2C1(C)C
InChIInChI=1S/C42H37N/c1-41(2)39-18-12-11-17-37(39)38-28-27-36(29-40(38)42(41,3)4)43(34-15-9-6-10-16-34)35-25-23-33(24-26-35)32-21-19-31(20-22-32)30-13-7-5-8-14-30/h5-29H,1-4H3
InChIKeyLIHIIJQBWGJQED-UHFFFAOYSA-N
MW555.77 g/mol
LogP11.73
Rot. Bonds5

About 9,9,10,10-tetramethyl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine

9,9,10,10-tetramethyl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine (PubChem CID 163608634) has the molecular formula C42H37N and a molecular weight of 555.77 g/mol. Its IUPAC name is 9,9,10,10-tetramethyl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine.

Molecular Properties

Compound Name9,9,10,10-tetramethyl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine
PubChem CID163608634
Molecular FormulaC42H37N
Molecular Weight555.77 g/mol
Exact Mass555.29
IUPAC Name9,9,10,10-tetramethyl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)cc2C1(C)C
InChIInChI=1S/C42H37N/c1-41(2)39-18-12-11-17-37(39)38-28-27-36(29-40(38)42(41,3)4)43(34-15-9-6-10-16-34)35-25-23-33(24-26-35)32-21-19-31(20-22-32)30-13-7-5-8-14-30/h5-29H,1-4H3
InChIKeyLIHIIJQBWGJQED-UHFFFAOYSA-N
XLogP11.73
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.77
LogP ≤ 511.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9,9,10,10-tetramethyl-N,N-bis(4-phenylphenyl)phenanthren-2-amine
CID 163436453
4-phenyl-N-(4-phenylphenyl)-N-[4-(9,9,10,10-tetramethylphenanthren-2-yl)phenyl]aniline
CID 176764668
N-phenyl-3-(4-phenylphenyl)-N-[3-(9,9,10,10-tetramethylphenanthren-2-yl)phenyl]aniline
CID 176764738
10,10,20,20,21,21-hexamethyl-N,N-diphenylpentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-7-amine
CID 163520415
4-N,4-N-bis(9,9-dimethylfluoren-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 23561786
4-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyl-4-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 59025126
N-[4-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 169230595
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118146254
2-N,7-N-bis[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethyl-2-N,7-N-diphenylfluorene-2,7-diamine
CID 23561352
N-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-amine
CID 155079035
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-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2-amine
CID 118641092

Frequently Asked Questions

What is the IUPAC name of 9,9,10,10-tetramethyl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine?
The IUPAC name of 9,9,10,10-tetramethyl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine (CID 163608634) is 9,9,10,10-tetramethyl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine.
What is the SMILES notation for 9,9,10,10-tetramethyl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine?
The canonical SMILES for 9,9,10,10-tetramethyl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)cc2C1(C)C.
What is the InChIKey of 9,9,10,10-tetramethyl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine?
The InChIKey is LIHIIJQBWGJQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H37N/c1-41(2)39-18-12-11-17-37(39)38-28-27-36(29-40(38)42(41,3)4)43(34-15-9-6-10-16-34)35-25-23-33(24-26-35)32-21-19-31(20-22-32)30-13-7-5-8-14-30/h5-29H,1-4H3.
What are the key properties of 9,9,10,10-tetramethyl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine?
9,9,10,10-tetramethyl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine has a molecular weight of 555.77 g/mol, XLogP of 11.73, 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-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine is sourced from PubChem (CID 163608634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).