9,9,10,10-tetramethyl-N-(5-methyl-3-phenylcyclohexa-1,3-dien-1-yl)-N-(9,9,10,10-tetramethylanthracen-2-yl)anthracen-2-amine

C49H51N — CID 163589369

IUPAC9,9,10,10-tetramethyl-N-(5-methyl-3-phenylcyclohexa-1,3-dien-1-yl)-N-(9,9,10,10-tetramethylanthracen-2-yl)anthracen-2-amine
SMILESCC1C=C(c2ccccc2)C=C(N(c2ccc3c(c2)C(C)(C)c2ccccc2C3(C)C)c2ccc3c(c2)C(C)(C)c2ccccc2C3(C)C)C1
InChIInChI=1S/C49H51N/c1-32-27-34(33-17-11-10-12-18-33)29-37(28-32)50(35-23-25-42-44(30-35)48(6,7)40-21-15-13-19-38(40)46(42,2)3)36-24-26-43-45(31-36)49(8,9)41-22-16-14-20-39(41)47(43,4)5/h10-27,29-32H,28H2,1-9H3
InChIKeyGOFCQJWIEVZAAZ-UHFFFAOYSA-N
MW653.95 g/mol
LogP12.76
Rot. Bonds4

About 9,9,10,10-tetramethyl-N-(5-methyl-3-phenylcyclohexa-1,3-dien-1-yl)-N-(9,9,10,10-tetramethylanthracen-2-yl)anthracen-2-amine

9,9,10,10-tetramethyl-N-(5-methyl-3-phenylcyclohexa-1,3-dien-1-yl)-N-(9,9,10,10-tetramethylanthracen-2-yl)anthracen-2-amine (PubChem CID 163589369) has the molecular formula C49H51N and a molecular weight of 653.95 g/mol. Its IUPAC name is 9,9,10,10-tetramethyl-N-(5-methyl-3-phenylcyclohexa-1,3-dien-1-yl)-N-(9,9,10,10-tetramethylanthracen-2-yl)anthracen-2-amine.

Molecular Properties

Compound Name9,9,10,10-tetramethyl-N-(5-methyl-3-phenylcyclohexa-1,3-dien-1-yl)-N-(9,9,10,10-tetramethylanthracen-2-yl)anthracen-2-amine
PubChem CID163589369
Molecular FormulaC49H51N
Molecular Weight653.95 g/mol
Exact Mass653.40
IUPAC Name9,9,10,10-tetramethyl-N-(5-methyl-3-phenylcyclohexa-1,3-dien-1-yl)-N-(9,9,10,10-tetramethylanthracen-2-yl)anthracen-2-amine
SMILESCC1C=C(c2ccccc2)C=C(N(c2ccc3c(c2)C(C)(C)c2ccccc2C3(C)C)c2ccc3c(c2)C(C)(C)c2ccccc2C3(C)C)C1
InChIInChI=1S/C49H51N/c1-32-27-34(33-17-11-10-12-18-33)29-37(28-32)50(35-23-25-42-44(30-35)48(6,7)40-21-15-13-19-38(40)46(42,2)3)36-24-26-43-45(31-36)49(8,9)41-22-16-14-20-39(41)47(43,4)5/h10-27,29-32H,28H2,1-9H3
InChIKeyGOFCQJWIEVZAAZ-UHFFFAOYSA-N
XLogP12.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.95
LogP ≤ 512.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 9,9,10,10-tetramethyl-N-(5-methyl-3-phenylcyclohexa-1,3-dien-1-yl)-N-(9,9,10,10-tetramethylanthracen-2-yl)anthracen-2-amine with MolForge

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Related Compounds

N-(4-tert-butylphenyl)-9,9,10,10-tetramethyl-N-phenylanthracen-2-amine
CID 167340397
N-(9,9-dimethylfluoren-3-yl)-7-(3,5-diphenylcyclohexa-1,3-dien-1-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
CID 168750064
N-[3-[6-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-9,9,10,10-tetramethylanthracen-2-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 59649074
6-bromo-9,9,10,10-tetramethyl-N,N-diphenylanthracen-2-amine
CID 153445557
N,N-bis(9,9-dimethyl-5-phenylfluoren-2-yl)-9,9-dimethyl-5-phenylfluoren-2-amine
CID 170179873
1-N-(4-cyclohexa-1,5-dien-1-ylphenyl)-2-N,2-N-bis(9,9-dimethylfluoren-2-yl)-1-N-(4-phenylphenyl)benzene-1,2-diamine
CID 139322169
N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2-amine
CID 167176324
N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-5-phenylfluoren-3-amine
CID 169039545
9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-3-amine
CID 121285785
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-[2,5-diphenyl-4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 176611399
N-(4-cyclohexa-1,5-dien-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-6,6,12,12-tetramethyl-10-phenylindeno[1,2-b]fluoren-2-amine
CID 142541184

Frequently Asked Questions

What is the IUPAC name of 9,9,10,10-tetramethyl-N-(5-methyl-3-phenylcyclohexa-1,3-dien-1-yl)-N-(9,9,10,10-tetramethylanthracen-2-yl)anthracen-2-amine?
The IUPAC name of 9,9,10,10-tetramethyl-N-(5-methyl-3-phenylcyclohexa-1,3-dien-1-yl)-N-(9,9,10,10-tetramethylanthracen-2-yl)anthracen-2-amine (CID 163589369) is 9,9,10,10-tetramethyl-N-(5-methyl-3-phenylcyclohexa-1,3-dien-1-yl)-N-(9,9,10,10-tetramethylanthracen-2-yl)anthracen-2-amine.
What is the SMILES notation for 9,9,10,10-tetramethyl-N-(5-methyl-3-phenylcyclohexa-1,3-dien-1-yl)-N-(9,9,10,10-tetramethylanthracen-2-yl)anthracen-2-amine?
The canonical SMILES for 9,9,10,10-tetramethyl-N-(5-methyl-3-phenylcyclohexa-1,3-dien-1-yl)-N-(9,9,10,10-tetramethylanthracen-2-yl)anthracen-2-amine is CC1C=C(c2ccccc2)C=C(N(c2ccc3c(c2)C(C)(C)c2ccccc2C3(C)C)c2ccc3c(c2)C(C)(C)c2ccccc2C3(C)C)C1.
What is the InChIKey of 9,9,10,10-tetramethyl-N-(5-methyl-3-phenylcyclohexa-1,3-dien-1-yl)-N-(9,9,10,10-tetramethylanthracen-2-yl)anthracen-2-amine?
The InChIKey is GOFCQJWIEVZAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H51N/c1-32-27-34(33-17-11-10-12-18-33)29-37(28-32)50(35-23-25-42-44(30-35)48(6,7)40-21-15-13-19-38(40)46(42,2)3)36-24-26-43-45(31-36)49(8,9)41-22-16-14-20-39(41)47(43,4)5/h10-27,29-32H,28H2,1-9H3.
What are the key properties of 9,9,10,10-tetramethyl-N-(5-methyl-3-phenylcyclohexa-1,3-dien-1-yl)-N-(9,9,10,10-tetramethylanthracen-2-yl)anthracen-2-amine?
9,9,10,10-tetramethyl-N-(5-methyl-3-phenylcyclohexa-1,3-dien-1-yl)-N-(9,9,10,10-tetramethylanthracen-2-yl)anthracen-2-amine has a molecular weight of 653.95 g/mol, XLogP of 12.76, 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-N-(5-methyl-3-phenylcyclohexa-1,3-dien-1-yl)-N-(9,9,10,10-tetramethylanthracen-2-yl)anthracen-2-amine is sourced from PubChem (CID 163589369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).