9,9,10,10-tetramethyl-N,N-bis(4-phenylphenyl)phenanthren-2-amine

C42H37N — CID 163436453

IUPAC9,9,10,10-tetramethyl-N,N-bis(4-phenylphenyl)phenanthren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)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(34-23-19-32(20-24-34)30-13-7-5-8-14-30)35-25-21-33(22-26-35)31-15-9-6-10-16-31/h5-29H,1-4H3
InChIKeyLEOVVUICVXXQAZ-UHFFFAOYSA-N
MW555.77 g/mol
LogP11.73
Rot. Bonds5

About 9,9,10,10-tetramethyl-N,N-bis(4-phenylphenyl)phenanthren-2-amine

9,9,10,10-tetramethyl-N,N-bis(4-phenylphenyl)phenanthren-2-amine (PubChem CID 163436453) has the molecular formula C42H37N and a molecular weight of 555.77 g/mol. Its IUPAC name is 9,9,10,10-tetramethyl-N,N-bis(4-phenylphenyl)phenanthren-2-amine.

Molecular Properties

Compound Name9,9,10,10-tetramethyl-N,N-bis(4-phenylphenyl)phenanthren-2-amine
PubChem CID163436453
Molecular FormulaC42H37N
Molecular Weight555.77 g/mol
Exact Mass555.29
IUPAC Name9,9,10,10-tetramethyl-N,N-bis(4-phenylphenyl)phenanthren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)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(34-23-19-32(20-24-34)30-13-7-5-8-14-30)35-25-21-33(22-26-35)31-15-9-6-10-16-31/h5-29H,1-4H3
InChIKeyLEOVVUICVXXQAZ-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-phenyl-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine
CID 163608634
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
4-N,4-N-bis(9,9-dimethylfluoren-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 23561786
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118146254
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-(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-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2-amine
CID 118641092
9,9-dimethyl-N-(4-methylphenyl)-N-(4-phenylphenyl)fluoren-2-amine
CID 118146352
9-methyl-N-(9-methyl-9-phenylfluoren-2-yl)-9-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 171453321
9,9-dimethyl-7-(4-phenylphenyl)-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118428445
N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-amine
CID 121391582

Frequently Asked Questions

What is the IUPAC name of 9,9,10,10-tetramethyl-N,N-bis(4-phenylphenyl)phenanthren-2-amine?
The IUPAC name of 9,9,10,10-tetramethyl-N,N-bis(4-phenylphenyl)phenanthren-2-amine (CID 163436453) is 9,9,10,10-tetramethyl-N,N-bis(4-phenylphenyl)phenanthren-2-amine.
What is the SMILES notation for 9,9,10,10-tetramethyl-N,N-bis(4-phenylphenyl)phenanthren-2-amine?
The canonical SMILES for 9,9,10,10-tetramethyl-N,N-bis(4-phenylphenyl)phenanthren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc2C1(C)C.
What is the InChIKey of 9,9,10,10-tetramethyl-N,N-bis(4-phenylphenyl)phenanthren-2-amine?
The InChIKey is LEOVVUICVXXQAZ-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(34-23-19-32(20-24-34)30-13-7-5-8-14-30)35-25-21-33(22-26-35)31-15-9-6-10-16-31/h5-29H,1-4H3.
What are the key properties of 9,9,10,10-tetramethyl-N,N-bis(4-phenylphenyl)phenanthren-2-amine?
9,9,10,10-tetramethyl-N,N-bis(4-phenylphenyl)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,N-bis(4-phenylphenyl)phenanthren-2-amine is sourced from PubChem (CID 163436453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).