N-[4-[4-(dinaphthalen-1-ylamino)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine

C52H36N2 — CID 11534891

IUPACN-[4-[4-(dinaphthalen-1-ylamino)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine
SMILESc1ccc2c(N(c3ccc(-c4ccc(N(c5cccc6ccccc56)c5cccc6ccccc56)cc4)cc3)c3cccc4ccccc34)cccc2c1
InChIInChI=1S/C52H36N2/c1-5-21-45-39(13-1)17-9-25-49(45)53(50-26-10-18-40-14-2-6-22-46(40)50)43-33-29-37(30-34-43)38-31-35-44(36-32-38)54(51-27-11-19-41-15-3-7-23-47(41)51)52-28-12-20-42-16-4-8-24-48(42)52/h1-36H
InChIKeyCLTPAQDLCMKBIS-UHFFFAOYSA-N
MW688.87 g/mol
LogP14.91
Rot. Bonds7

About N-[4-[4-(dinaphthalen-1-ylamino)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine

N-[4-[4-(dinaphthalen-1-ylamino)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine (PubChem CID 11534891) has the molecular formula C52H36N2 and a molecular weight of 688.87 g/mol. Its IUPAC name is N-[4-[4-(dinaphthalen-1-ylamino)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine.

Molecular Properties

Compound NameN-[4-[4-(dinaphthalen-1-ylamino)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine
PubChem CID11534891
Molecular FormulaC52H36N2
Molecular Weight688.87 g/mol
Exact Mass688.29
IUPAC NameN-[4-[4-(dinaphthalen-1-ylamino)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine
SMILESc1ccc2c(N(c3ccc(-c4ccc(N(c5cccc6ccccc56)c5cccc6ccccc56)cc4)cc3)c3cccc4ccccc34)cccc2c1
InChIInChI=1S/C52H36N2/c1-5-21-45-39(13-1)17-9-25-49(45)53(50-26-10-18-40-14-2-6-22-46(40)50)43-33-29-37(30-34-43)38-31-35-44(36-32-38)54(51-27-11-19-41-15-3-7-23-47(41)51)52-28-12-20-42-16-4-8-24-48(42)52/h1-36H
InChIKeyCLTPAQDLCMKBIS-UHFFFAOYSA-N
XLogP14.91
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.87
LogP ≤ 514.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(dinaphthalen-1-ylamino)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine?
The IUPAC name of N-[4-[4-(dinaphthalen-1-ylamino)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine (CID 11534891) is N-[4-[4-(dinaphthalen-1-ylamino)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine.
What is the SMILES notation for N-[4-[4-(dinaphthalen-1-ylamino)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine?
The canonical SMILES for N-[4-[4-(dinaphthalen-1-ylamino)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine is c1ccc2c(N(c3ccc(-c4ccc(N(c5cccc6ccccc56)c5cccc6ccccc56)cc4)cc3)c3cccc4ccccc34)cccc2c1.
What is the InChIKey of N-[4-[4-(dinaphthalen-1-ylamino)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine?
The InChIKey is CLTPAQDLCMKBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H36N2/c1-5-21-45-39(13-1)17-9-25-49(45)53(50-26-10-18-40-14-2-6-22-46(40)50)43-33-29-37(30-34-43)38-31-35-44(36-32-38)54(51-27-11-19-41-15-3-7-23-47(41)51)52-28-12-20-42-16-4-8-24-48(42)52/h1-36H.
What are the key properties of N-[4-[4-(dinaphthalen-1-ylamino)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine?
N-[4-[4-(dinaphthalen-1-ylamino)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine has a molecular weight of 688.87 g/mol, XLogP of 14.91, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(dinaphthalen-1-ylamino)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine is sourced from PubChem (CID 11534891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).