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

C60H61N — CID 163606752

IUPAC9,9,10,10-tetramethyl-7-phenyl-N-(9,9,10,10-tetramethylphenanthren-2-yl)-N-(9,9,10,10-tetramethylphenanthren-3-yl)phenanthren-4-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc4c(c3)C(C)(C)C(C)(C)c3ccccc3-4)c3cccc4c3-c3ccc(-c5ccccc5)cc3C(C)(C)C4(C)C)ccc2C1(C)C
InChIInChI=1S/C60H61N/c1-55(2)48-26-19-17-24-43(48)46-36-40(31-34-49(46)57(55,5)6)61(41-30-33-44-42-23-16-18-25-47(42)56(3,4)60(11,12)52(44)37-41)53-28-20-27-50-54(53)45-32-29-39(38-21-14-13-15-22-38)35-51(45)59(9,10)58(50,7)8/h13-37H,1-12H3
InChIKeyLVJPTUQIPQBHAB-UHFFFAOYSA-N
MW796.16 g/mol
LogP16.53
Rot. Bonds4

About 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

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 (PubChem CID 163606752) has the molecular formula C60H61N and a molecular weight of 796.16 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9,9,10,10-tetramethyl-7-phenyl-N-(9,9,10,10-tetramethylphenanthren-2-yl)-N-(9,9,10,10-tetramethylphenanthren-3-yl)phenanthren-4-amine
PubChem CID163606752
Molecular FormulaC60H61N
Molecular Weight796.16 g/mol
Exact Mass795.48
IUPAC Name9,9,10,10-tetramethyl-7-phenyl-N-(9,9,10,10-tetramethylphenanthren-2-yl)-N-(9,9,10,10-tetramethylphenanthren-3-yl)phenanthren-4-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc4c(c3)C(C)(C)C(C)(C)c3ccccc3-4)c3cccc4c3-c3ccc(-c5ccccc5)cc3C(C)(C)C4(C)C)ccc2C1(C)C
InChIInChI=1S/C60H61N/c1-55(2)48-26-19-17-24-43(48)46-36-40(31-34-49(46)57(55,5)6)61(41-30-33-44-42-23-16-18-25-47(42)56(3,4)60(11,12)52(44)37-41)53-28-20-27-50-54(53)45-32-29-39(38-21-14-13-15-22-38)35-51(45)59(9,10)58(50,7)8/h13-37H,1-12H3
InChIKeyLVJPTUQIPQBHAB-UHFFFAOYSA-N
XLogP16.53
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500796.16
LogP ≤ 516.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 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 with MolForge

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Related Compounds

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-(9,9-dimethylfluoren-1-yl)-9,9,10,10-tetramethyl-N-phenyl-6-(3-phenylphenyl)phenanthren-2-amine
CID 163615776
N-(9,9-dimethylfluoren-2-yl)-6,6,12,12-tetramethyl-N-(4-phenylphenyl)indeno[1,2-b]fluoren-4-amine
CID 138461764
N-phenyl-N-[3-(3-phenylphenyl)phenyl]-2-(9,9,10,10-tetramethylphenanthren-2-yl)aniline
CID 176764801
N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6,6,12,12-tetramethylindeno[1,2-b]fluoren-4-amine
CID 138461965
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6,6,12,12-tetramethyl-N-[4-(4-phenylphenyl)phenyl]indeno[1,2-b]fluoren-4-amine
CID 138461967
N-(9,9-dimethyl-7-phenylfluoren-2-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 138631295
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-(9,9-dimethylfluoren-2-yl)-N-[4-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 167177057
N-[3-(9,9-dimethylfluoren-2-yl)-2-(3-phenylphenyl)phenyl]-9,9-dimethyl-N-[4-(2-phenylphenyl)phenyl]fluoren-3-amine
CID 170665738
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 168788568

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2ccccc2-c2cc(N(c3ccc4c(c3)C(C)(C)C(C)(C)c3ccccc3-4)c3cccc4c3-c3ccc(-c5ccccc5)cc3C(C)(C)C4(C)C)ccc2C1(C)C.
What is the InChIKey of 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?
The InChIKey is LVJPTUQIPQBHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H61N/c1-55(2)48-26-19-17-24-43(48)46-36-40(31-34-49(46)57(55,5)6)61(41-30-33-44-42-23-16-18-25-47(42)56(3,4)60(11,12)52(44)37-41)53-28-20-27-50-54(53)45-32-29-39(38-21-14-13-15-22-38)35-51(45)59(9,10)58(50,7)8/h13-37H,1-12H3.
What are the key properties of 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?
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 has a molecular weight of 796.16 g/mol, XLogP of 16.53, 4 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-7-phenyl-N-(9,9,10,10-tetramethylphenanthren-2-yl)-N-(9,9,10,10-tetramethylphenanthren-3-yl)phenanthren-4-amine is sourced from PubChem (CID 163606752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).