10-methyl-N,N,2,6-tetraphenylanthracen-9-amine

C39H29N — CID 89284135

IUPAC10-methyl-N,N,2,6-tetraphenylanthracen-9-amine
SMILESCc1c2cc(-c3ccccc3)ccc2c(N(c2ccccc2)c2ccccc2)c2cc(-c3ccccc3)ccc12
InChIInChI=1S/C39H29N/c1-28-35-24-22-32(30-16-8-3-9-17-30)27-38(35)39(36-25-23-31(26-37(28)36)29-14-6-2-7-15-29)40(33-18-10-4-11-19-33)34-20-12-5-13-21-34/h2-27H,1H3
InChIKeyCRXQTYGYWYXMJP-UHFFFAOYSA-N
MW511.67 g/mol
LogP11.11
Rot. Bonds5

About 10-methyl-N,N,2,6-tetraphenylanthracen-9-amine

10-methyl-N,N,2,6-tetraphenylanthracen-9-amine (PubChem CID 89284135) has the molecular formula C39H29N and a molecular weight of 511.67 g/mol. Its IUPAC name is 10-methyl-N,N,2,6-tetraphenylanthracen-9-amine.

Molecular Properties

Compound Name10-methyl-N,N,2,6-tetraphenylanthracen-9-amine
PubChem CID89284135
Molecular FormulaC39H29N
Molecular Weight511.67 g/mol
Exact Mass511.23
IUPAC Name10-methyl-N,N,2,6-tetraphenylanthracen-9-amine
SMILESCc1c2cc(-c3ccccc3)ccc2c(N(c2ccccc2)c2ccccc2)c2cc(-c3ccccc3)ccc12
InChIInChI=1S/C39H29N/c1-28-35-24-22-32(30-16-8-3-9-17-30)27-38(35)39(36-25-23-31(26-37(28)36)29-14-6-2-7-15-29)40(33-18-10-4-11-19-33)34-20-12-5-13-21-34/h2-27H,1H3
InChIKeyCRXQTYGYWYXMJP-UHFFFAOYSA-N
XLogP11.11
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.67
LogP ≤ 511.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

10-methyl-N-naphthalen-2-yl-N-(4-phenylphenyl)anthracen-9-amine
CID 143494684
9-N,10-N-diphenyl-9-N,10-N-bis(4-phenylphenyl)anthracene-9,10-diamine
CID 59133440
2,3,6-trimethyl-9-N,10-N-bis(4-methylphenyl)-9-N,10-N-diphenylanthracene-9,10-diamine
CID 59372305
10-N-cyclohexa-1,5-dien-1-yl-9-N,9-N,10-N,2-tetraphenylanthracene-9,10-diamine
CID 89189854
9-N,10-N-diphenyl-9-N,10-N-bis(4-phenylphenyl)phenanthrene-9,10-diamine
CID 22105096
9-N,10-N-bis(4-naphthalen-2-ylphenyl)-9-N,10-N-bis(4-phenylphenyl)anthracene-9,10-diamine;9-N,9-N,10-N,10-N-tetrakis(3,5-dimethylphenyl)anthracene-9,10-diamine;9-N,9-N,10-N,10-N-tetrakis[4-(4-phenylphenyl)phenyl]anthracene-9,10-diamine
CID 157415217
2,7-dimethyl-9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)anthracene-9,10-diamine
CID 59372269
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N,9,10-triphenylanthracen-2-amine;9,10-dimethyl-2-N,2-N,6-N,6-N-tetranaphthalen-1-ylanthracene-2,6-diamine;9,10-dimethyl-2-N,2-N,6-N,6-N-tetraphenylanthracene-2,6-diamine;9-N,10-N-dinaphthalen-2-yl-9-N,10-N-diphenylanthracene-9,10-diamine;9-N,10-N-dinaphthalen-2-yl-9-N,10-N,2-triphenylanthracene-9,10-diamine;9-N,9-N,10-N,10-N,2-pentanaphthalen-2-ylanthracene-9,10-diamine;9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)-2-naphthalen-2-ylanthracene-9,10-diamine
CID 158705725
N,N-diphenyl-4-[20-[4-(N-phenylanilino)phenyl]-5-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17(22),18,20-undecaenyl]aniline
CID 132542294
1-N-(4-methylphenyl)-4-N-[4-[4-[3-(N-[4-(N-(4-methylphenyl)anilino)phenyl]anilino)phenyl]phenyl]phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 22944759
N-(4-methylphenyl)-3-phenyl-N-(4-phenylphenyl)aniline
CID 58410428
N,N-bis(4-methylphenyl)-3-phenylaniline
CID 140818331

Frequently Asked Questions

What is the IUPAC name of 10-methyl-N,N,2,6-tetraphenylanthracen-9-amine?
The IUPAC name of 10-methyl-N,N,2,6-tetraphenylanthracen-9-amine (CID 89284135) is 10-methyl-N,N,2,6-tetraphenylanthracen-9-amine.
What is the SMILES notation for 10-methyl-N,N,2,6-tetraphenylanthracen-9-amine?
The canonical SMILES for 10-methyl-N,N,2,6-tetraphenylanthracen-9-amine is Cc1c2cc(-c3ccccc3)ccc2c(N(c2ccccc2)c2ccccc2)c2cc(-c3ccccc3)ccc12.
What is the InChIKey of 10-methyl-N,N,2,6-tetraphenylanthracen-9-amine?
The InChIKey is CRXQTYGYWYXMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H29N/c1-28-35-24-22-32(30-16-8-3-9-17-30)27-38(35)39(36-25-23-31(26-37(28)36)29-14-6-2-7-15-29)40(33-18-10-4-11-19-33)34-20-12-5-13-21-34/h2-27H,1H3.
What are the key properties of 10-methyl-N,N,2,6-tetraphenylanthracen-9-amine?
10-methyl-N,N,2,6-tetraphenylanthracen-9-amine has a molecular weight of 511.67 g/mol, XLogP of 11.11, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-N,N,2,6-tetraphenylanthracen-9-amine is sourced from PubChem (CID 89284135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).