6,7-dimethyl-N,N,5,8-tetraphenylnaphthalen-2-amine

C36H29N — CID 123890919

IUPAC6,7-dimethyl-N,N,5,8-tetraphenylnaphthalen-2-amine
SMILESCc1c(C)c(-c2ccccc2)c2cc(N(c3ccccc3)c3ccccc3)ccc2c1-c1ccccc1
InChIInChI=1S/C36H29N/c1-26-27(2)36(29-17-9-4-10-18-29)34-25-32(23-24-33(34)35(26)28-15-7-3-8-16-28)37(30-19-11-5-12-20-30)31-21-13-6-14-22-31/h3-25H,1-2H3
InChIKeyDHSQFXHEIPWKRK-UHFFFAOYSA-N
MW475.64 g/mol
LogP10.26
Rot. Bonds5

About 6,7-dimethyl-N,N,5,8-tetraphenylnaphthalen-2-amine

6,7-dimethyl-N,N,5,8-tetraphenylnaphthalen-2-amine (PubChem CID 123890919) has the molecular formula C36H29N and a molecular weight of 475.64 g/mol. Its IUPAC name is 6,7-dimethyl-N,N,5,8-tetraphenylnaphthalen-2-amine.

Molecular Properties

Compound Name6,7-dimethyl-N,N,5,8-tetraphenylnaphthalen-2-amine
PubChem CID123890919
Molecular FormulaC36H29N
Molecular Weight475.64 g/mol
Exact Mass475.23
IUPAC Name6,7-dimethyl-N,N,5,8-tetraphenylnaphthalen-2-amine
SMILESCc1c(C)c(-c2ccccc2)c2cc(N(c3ccccc3)c3ccccc3)ccc2c1-c1ccccc1
InChIInChI=1S/C36H29N/c1-26-27(2)36(29-17-9-4-10-18-29)34-25-32(23-24-33(34)35(26)28-15-7-3-8-16-28)37(30-19-11-5-12-20-30)31-21-13-6-14-22-31/h3-25H,1-2H3
InChIKeyDHSQFXHEIPWKRK-UHFFFAOYSA-N
XLogP10.26
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.64
LogP ≤ 510.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-N,6-N,16-N,16-N,3,10,13,20-octakis-phenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4(9),5,7,10,12,14(19),15,17-decaene-6,16-diamine
CID 166033321
2-N,6-N-bis(4-methylphenyl)-2-N,6-N,9-triphenyl-10-(4-phenylphenyl)anthracene-2,6-diamine
CID 59766189
2-N,2-N,6-N,6-N,9,10-hexakis(4-phenylphenyl)anthracene-2,6-diamine
CID 90194161
9-(4-methylphenyl)-2-N,6-N-dinaphthalen-2-yl-2-N,6-N,10-triphenylanthracene-2,6-diamine
CID 59766271
9-(3,5-dimethylphenyl)-6-N-naphthalen-2-yl-2-N,2-N,6-N,10-tetraphenylanthracene-2,6-diamine
CID 89061203
2-N,6-N-dinaphthalen-2-yl-2-N,6-N-diphenyl-9,10-bis(4-phenylphenyl)anthracene-2,6-diamine
CID 58855163
4-N-(4-methylphenyl)-1-N,1-N-diphenyl-4-N-[4-(10-phenylanthracen-9-yl)phenyl]benzene-1,4-diamine
CID 59221804
2-N,6-N,9-trinaphthalen-2-yl-2-N,6-N,10-triphenylanthracene-2,6-diamine
CID 59766461
9-(4-ethenylphenyl)-2-N,2-N,6-N,6-N,10-pentakis-phenylanthracene-2,6-diamine
CID 88909395
9,10-dinaphthalen-2-ylanthracene;2-N,2-N,6-N,6-N,9,10-hexakis-phenylanthracene-2,6-diamine
CID 161402178
2-N,6-N-dinaphthalen-1-yl-2-N,6-N,9,10-tetraphenylanthracene-2,6-diamine;2-N,2-N,6-N,6-N,9,10-hexakis-phenylanthracene-2,6-diamine
CID 159869915
2-N-(4-methylphenyl)-2-N,6-N-bis(3-methyl-5-propan-2-ylphenyl)-6-N,9,10-triphenylanthracene-2,6-diamine
CID 143986348

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-N,N,5,8-tetraphenylnaphthalen-2-amine?
The IUPAC name of 6,7-dimethyl-N,N,5,8-tetraphenylnaphthalen-2-amine (CID 123890919) is 6,7-dimethyl-N,N,5,8-tetraphenylnaphthalen-2-amine.
What is the SMILES notation for 6,7-dimethyl-N,N,5,8-tetraphenylnaphthalen-2-amine?
The canonical SMILES for 6,7-dimethyl-N,N,5,8-tetraphenylnaphthalen-2-amine is Cc1c(C)c(-c2ccccc2)c2cc(N(c3ccccc3)c3ccccc3)ccc2c1-c1ccccc1.
What is the InChIKey of 6,7-dimethyl-N,N,5,8-tetraphenylnaphthalen-2-amine?
The InChIKey is DHSQFXHEIPWKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H29N/c1-26-27(2)36(29-17-9-4-10-18-29)34-25-32(23-24-33(34)35(26)28-15-7-3-8-16-28)37(30-19-11-5-12-20-30)31-21-13-6-14-22-31/h3-25H,1-2H3.
What are the key properties of 6,7-dimethyl-N,N,5,8-tetraphenylnaphthalen-2-amine?
6,7-dimethyl-N,N,5,8-tetraphenylnaphthalen-2-amine has a molecular weight of 475.64 g/mol, XLogP of 10.26, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-N,N,5,8-tetraphenylnaphthalen-2-amine is sourced from PubChem (CID 123890919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).