3-N,6-N-dinaphthalen-1-yl-3-N,6-N-diphenylchrysene-3,6-diamine

C50H34N2 — CID 170410600

IUPAC3-N,6-N-dinaphthalen-1-yl-3-N,6-N-diphenylchrysene-3,6-diamine
SMILESc1ccc(N(c2ccc3ccc4c5ccccc5c(N(c5ccccc5)c5cccc6ccccc56)cc4c3c2)c2cccc3ccccc23)cc1
InChIInChI=1S/C50H34N2/c1-3-19-38(20-4-1)51(48-27-13-17-35-15-7-9-23-41(35)48)40-31-29-37-30-32-44-43-25-11-12-26-45(43)50(34-47(44)46(37)33-40)52(39-21-5-2-6-22-39)49-28-14-18-36-16-8-10-24-42(36)49/h1-34H
InChIKeyCXWIPBUWTQZVIL-UHFFFAOYSA-N
MW662.84 g/mol
LogP14.39
Rot. Bonds6

About 3-N,6-N-dinaphthalen-1-yl-3-N,6-N-diphenylchrysene-3,6-diamine

3-N,6-N-dinaphthalen-1-yl-3-N,6-N-diphenylchrysene-3,6-diamine (PubChem CID 170410600) has the molecular formula C50H34N2 and a molecular weight of 662.84 g/mol. Its IUPAC name is 3-N,6-N-dinaphthalen-1-yl-3-N,6-N-diphenylchrysene-3,6-diamine.

Molecular Properties

Compound Name3-N,6-N-dinaphthalen-1-yl-3-N,6-N-diphenylchrysene-3,6-diamine
PubChem CID170410600
Molecular FormulaC50H34N2
Molecular Weight662.84 g/mol
Exact Mass662.27
IUPAC Name3-N,6-N-dinaphthalen-1-yl-3-N,6-N-diphenylchrysene-3,6-diamine
SMILESc1ccc(N(c2ccc3ccc4c5ccccc5c(N(c5ccccc5)c5cccc6ccccc56)cc4c3c2)c2cccc3ccccc23)cc1
InChIInChI=1S/C50H34N2/c1-3-19-38(20-4-1)51(48-27-13-17-35-15-7-9-23-41(35)48)40-31-29-37-30-32-44-43-25-11-12-26-45(43)50(34-47(44)46(37)33-40)52(39-21-5-2-6-22-39)49-28-14-18-36-16-8-10-24-42(36)49/h1-34H
InChIKeyCXWIPBUWTQZVIL-UHFFFAOYSA-N
XLogP14.39
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.84
LogP ≤ 514.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-phenanthren-3-yl-N-(3-phenylphenyl)chrysen-6-amine
CID 170135539
1-N,9-N-dinaphthalen-2-yl-1-N,9-N-diphenylchrysene-1,9-diamine
CID 170410643
N-(3-phenylphenyl)-N-(4-phenylphenyl)chrysen-6-amine
CID 170135249
1-N,9-N-diphenyl-1-N,9-N-bis(3-phenylphenyl)chrysene-1,9-diamine
CID 170410736
N-(4-naphthalen-1-ylphenyl)-N-phenanthren-3-ylphenanthren-1-amine
CID 168809817
N-(3-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)chrysen-6-amine
CID 170135464
1-N,4-N-dinaphthalen-1-yl-4-N-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 87744556
4-N-naphthalen-2-yl-1-N-[4-(N-naphthalen-1-ylanilino)phenyl]-1-N-[4-(N-naphthalen-2-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine
CID 58598982
N,N-diphenylaniline;N,N-diphenylnaphthalen-1-amine;N,N-diphenylnaphthalen-2-amine;ethane;N-naphthalen-1-yl-N-phenylnaphthalen-1-amine;N-naphthalen-1-yl-N-phenylnaphthalen-2-amine;N-naphthalen-2-yl-N-phenylnaphthalen-2-amine
CID 161430896
2-N,7-N-dinaphthalen-1-yl-2-N-[4-[4-[naphthalen-1-yl-[7-(N-naphthalen-1-ylanilino)phenanthren-2-yl]amino]phenyl]phenyl]-7-N-phenylphenanthrene-2,7-diamine
CID 58807472
4-N-naphthalen-1-yl-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 22218375
1-N-[4-[4-(N-naphthalen-1-ylanilino)-N-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]-1-N,4-N,4-N-tris[4-(N-naphthalen-1-ylanilino)phenyl]benzene-1,4-diamine
CID 122607218

Frequently Asked Questions

What is the IUPAC name of 3-N,6-N-dinaphthalen-1-yl-3-N,6-N-diphenylchrysene-3,6-diamine?
The IUPAC name of 3-N,6-N-dinaphthalen-1-yl-3-N,6-N-diphenylchrysene-3,6-diamine (CID 170410600) is 3-N,6-N-dinaphthalen-1-yl-3-N,6-N-diphenylchrysene-3,6-diamine.
What is the SMILES notation for 3-N,6-N-dinaphthalen-1-yl-3-N,6-N-diphenylchrysene-3,6-diamine?
The canonical SMILES for 3-N,6-N-dinaphthalen-1-yl-3-N,6-N-diphenylchrysene-3,6-diamine is c1ccc(N(c2ccc3ccc4c5ccccc5c(N(c5ccccc5)c5cccc6ccccc56)cc4c3c2)c2cccc3ccccc23)cc1.
What is the InChIKey of 3-N,6-N-dinaphthalen-1-yl-3-N,6-N-diphenylchrysene-3,6-diamine?
The InChIKey is CXWIPBUWTQZVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H34N2/c1-3-19-38(20-4-1)51(48-27-13-17-35-15-7-9-23-41(35)48)40-31-29-37-30-32-44-43-25-11-12-26-45(43)50(34-47(44)46(37)33-40)52(39-21-5-2-6-22-39)49-28-14-18-36-16-8-10-24-42(36)49/h1-34H.
What are the key properties of 3-N,6-N-dinaphthalen-1-yl-3-N,6-N-diphenylchrysene-3,6-diamine?
3-N,6-N-dinaphthalen-1-yl-3-N,6-N-diphenylchrysene-3,6-diamine has a molecular weight of 662.84 g/mol, XLogP of 14.39, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,6-N-dinaphthalen-1-yl-3-N,6-N-diphenylchrysene-3,6-diamine is sourced from PubChem (CID 170410600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).