6-(10-methylanthracen-9-yl)-N,N-bis(4-phenylphenyl)naphthalen-2-amine

C49H35N — CID 58875999

IUPAC6-(10-methylanthracen-9-yl)-N,N-bis(4-phenylphenyl)naphthalen-2-amine
SMILESCc1c2ccccc2c(-c2ccc3cc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)ccc3c2)c2ccccc12
InChIInChI=1S/C49H35N/c1-34-45-16-8-10-18-47(45)49(48-19-11-9-17-46(34)48)41-21-20-40-33-44(31-26-39(40)32-41)50(42-27-22-37(23-28-42)35-12-4-2-5-13-35)43-29-24-38(25-30-43)36-14-6-3-7-15-36/h2-33H,1H3
InChIKeyIZQRGXPGTCSIQX-UHFFFAOYSA-N
MW637.83 g/mol
LogP13.93
Rot. Bonds6

About 6-(10-methylanthracen-9-yl)-N,N-bis(4-phenylphenyl)naphthalen-2-amine

6-(10-methylanthracen-9-yl)-N,N-bis(4-phenylphenyl)naphthalen-2-amine (PubChem CID 58875999) has the molecular formula C49H35N and a molecular weight of 637.83 g/mol. Its IUPAC name is 6-(10-methylanthracen-9-yl)-N,N-bis(4-phenylphenyl)naphthalen-2-amine.

Molecular Properties

Compound Name6-(10-methylanthracen-9-yl)-N,N-bis(4-phenylphenyl)naphthalen-2-amine
PubChem CID58875999
Molecular FormulaC49H35N
Molecular Weight637.83 g/mol
Exact Mass637.28
IUPAC Name6-(10-methylanthracen-9-yl)-N,N-bis(4-phenylphenyl)naphthalen-2-amine
SMILESCc1c2ccccc2c(-c2ccc3cc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)ccc3c2)c2ccccc12
InChIInChI=1S/C49H35N/c1-34-45-16-8-10-18-47(45)49(48-19-11-9-17-46(34)48)41-21-20-40-33-44(31-26-39(40)32-41)50(42-27-22-37(23-28-42)35-12-4-2-5-13-35)43-29-24-38(25-30-43)36-14-6-3-7-15-36/h2-33H,1H3
InChIKeyIZQRGXPGTCSIQX-UHFFFAOYSA-N
XLogP13.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.83
LogP ≤ 513.93
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

9,10-dinaphthalen-2-yl-N-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-N-(4-phenylphenyl)anthracen-2-amine
CID 58963420
10-methyl-N-naphthalen-2-yl-N-(4-phenylphenyl)anthracen-9-amine
CID 143494684
9,10-dinaphthalen-2-yl-2-N,2-N,6-N,6-N-tetrakis(4-phenylphenyl)anthracene-2,6-diamine
CID 88869069
9-naphthalen-2-yl-10-phenyl-2-N,2-N,6-N,6-N-tetrakis(4-phenylphenyl)anthracene-2,6-diamine
CID 90194162
N,N-diphenyl-6-[9-[6-(N-phenylanilino)naphthalen-2-yl]benzo[b]triphenylen-14-yl]naphthalen-2-amine
CID 58855289
2-N,6-N,9-trinaphthalen-2-yl-2-N,6-N,10-triphenylanthracene-2,6-diamine
CID 59766461
9,10-dinaphthalen-2-ylanthracene;2-N,2-N,6-N,6-N,9,10-hexakis-phenylanthracene-2,6-diamine
CID 161402178
N-phenyl-6-[4-(N-(4-phenylphenyl)anilino)phenyl]-N-[6-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-2-yl]naphthalen-2-amine
CID 59690791
2-N,6-N,6-N-triphenyl-2-N-(4-phenylphenyl)naphthalene-2,6-diamine
CID 166917050
4-(9,10-dinaphthalen-2-ylanthracen-2-yl)-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]aniline;9,10-dinaphthalen-2-yl-2,6-bis(10-naphthalen-2-ylanthracen-9-yl)anthracene;9,10-dinaphthalen-2-yl-2,6-bis(10-phenylanthracen-9-yl)anthracene
CID 159179813
9-[4-[6-[10-naphthalen-2-yl-2,6-bis(N-phenylanilino)anthracen-9-yl]naphthalen-2-yl]phenyl]-2-N,2-N,6-N,6-N,10-pentakis-phenylanthracene-2,6-diamine
CID 134490814
2-N,6-N-bis(4-methylphenyl)-9,10-dinaphthalen-2-yl-2-N,6-N-diphenylanthracene-2,6-diamine
CID 90194196

Frequently Asked Questions

What is the IUPAC name of 6-(10-methylanthracen-9-yl)-N,N-bis(4-phenylphenyl)naphthalen-2-amine?
The IUPAC name of 6-(10-methylanthracen-9-yl)-N,N-bis(4-phenylphenyl)naphthalen-2-amine (CID 58875999) is 6-(10-methylanthracen-9-yl)-N,N-bis(4-phenylphenyl)naphthalen-2-amine.
What is the SMILES notation for 6-(10-methylanthracen-9-yl)-N,N-bis(4-phenylphenyl)naphthalen-2-amine?
The canonical SMILES for 6-(10-methylanthracen-9-yl)-N,N-bis(4-phenylphenyl)naphthalen-2-amine is Cc1c2ccccc2c(-c2ccc3cc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)ccc3c2)c2ccccc12.
What is the InChIKey of 6-(10-methylanthracen-9-yl)-N,N-bis(4-phenylphenyl)naphthalen-2-amine?
The InChIKey is IZQRGXPGTCSIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H35N/c1-34-45-16-8-10-18-47(45)49(48-19-11-9-17-46(34)48)41-21-20-40-33-44(31-26-39(40)32-41)50(42-27-22-37(23-28-42)35-12-4-2-5-13-35)43-29-24-38(25-30-43)36-14-6-3-7-15-36/h2-33H,1H3.
What are the key properties of 6-(10-methylanthracen-9-yl)-N,N-bis(4-phenylphenyl)naphthalen-2-amine?
6-(10-methylanthracen-9-yl)-N,N-bis(4-phenylphenyl)naphthalen-2-amine has a molecular weight of 637.83 g/mol, XLogP of 13.93, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(10-methylanthracen-9-yl)-N,N-bis(4-phenylphenyl)naphthalen-2-amine is sourced from PubChem (CID 58875999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).