2-naphthalen-2-yl-4-(7-naphthalen-2-yldibenzofuran-2-yl)-6-phenyl-3,5-diaza-1-azanidacyclohexa-2,4-diene

C41H26N3O- — CID 163727912

IUPAC2-naphthalen-2-yl-4-(7-naphthalen-2-yldibenzofuran-2-yl)-6-phenyl-3,5-diaza-1-azanidacyclohexa-2,4-diene
SMILESc1ccc(C2N=C(c3ccc4oc5cc(-c6ccc7ccccc7c6)ccc5c4c3)N=C(c3ccc4ccccc4c3)[N-]2)cc1
InChIInChI=1S/C41H26N3O/c1-2-10-28(11-3-1)39-42-40(33-17-15-27-9-5-7-13-30(27)23-33)44-41(43-39)34-19-21-37-36(24-34)35-20-18-32(25-38(35)45-37)31-16-14-26-8-4-6-12-29(26)22-31/h1-25,39H/q-1
InChIKeyKXDXHGWJDJDZKW-UHFFFAOYSA-N
MW576.68 g/mol
LogP10.84
Rot. Bonds4

About 2-naphthalen-2-yl-4-(7-naphthalen-2-yldibenzofuran-2-yl)-6-phenyl-3,5-diaza-1-azanidacyclohexa-2,4-diene

2-naphthalen-2-yl-4-(7-naphthalen-2-yldibenzofuran-2-yl)-6-phenyl-3,5-diaza-1-azanidacyclohexa-2,4-diene (PubChem CID 163727912) has the molecular formula C41H26N3O- and a molecular weight of 576.68 g/mol. Its IUPAC name is 2-naphthalen-2-yl-4-(7-naphthalen-2-yldibenzofuran-2-yl)-6-phenyl-3,5-diaza-1-azanidacyclohexa-2,4-diene.

Molecular Properties

Compound Name2-naphthalen-2-yl-4-(7-naphthalen-2-yldibenzofuran-2-yl)-6-phenyl-3,5-diaza-1-azanidacyclohexa-2,4-diene
PubChem CID163727912
Molecular FormulaC41H26N3O-
Molecular Weight576.68 g/mol
Exact Mass576.21
IUPAC Name2-naphthalen-2-yl-4-(7-naphthalen-2-yldibenzofuran-2-yl)-6-phenyl-3,5-diaza-1-azanidacyclohexa-2,4-diene
SMILESc1ccc(C2N=C(c3ccc4oc5cc(-c6ccc7ccccc7c6)ccc5c4c3)N=C(c3ccc4ccccc4c3)[N-]2)cc1
InChIInChI=1S/C41H26N3O/c1-2-10-28(11-3-1)39-42-40(33-17-15-27-9-5-7-13-30(27)23-33)44-41(43-39)34-19-21-37-36(24-34)35-20-18-32(25-38(35)45-37)31-16-14-26-8-4-6-12-29(26)22-31/h1-25,39H/q-1
InChIKeyKXDXHGWJDJDZKW-UHFFFAOYSA-N
XLogP10.84
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.68
LogP ≤ 510.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chrysen-3-yl-4-dibenzofuran-2-yl-6-phenyl-1,5-diaza-3-azanidacyclohexa-1,5-diene
CID 163721047
2-[6,8-bis(4-phenylphenyl)dibenzofuran-2-yl]-4,6-diphenyl-1,3-diaza-5-azanidacyclohexa-2,6-diene
CID 142343054
2,4-dinaphthalen-2-yl-6-(7-naphthalen-2-yldibenzofuran-2-yl)-1,3,5-triazine
CID 163653920
2,4-dinaphthalen-2-yl-6-(7-phenyldibenzofuran-2-yl)-1,3,5-triazine
CID 176616855
2-(8-naphthalen-2-yldibenzofuran-3-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 167402984
2,4-diphenyl-6-[1-(3-phenylphenyl)dibenzofuran-3-yl]-3,5-diaza-1-azanidacyclohexa-3,5-diene
CID 163683464
3-naphthalen-2-yldibenzofuran
CID 68932481
7-naphthalen-2-yl-2-(10-phenylanthracen-9-yl)dibenzofuran;2-(10-phenylanthracen-9-yl)-7-(3-phenylphenyl)dibenzofuran;7-phenyl-2-(10-phenylanthracen-9-yl)dibenzofuran
CID 164972218
2,8-bis(6-naphthalen-2-ylnaphthalen-2-yl)dibenzofuran;2,8-bis(6-phenylnaphthalen-2-yl)dibenzofuran;2,8-bis(7-phenylnaphthalen-2-yl)dibenzofuran;2-[7-(cyclodecapentaenyl)naphthalen-2-yl]-8-(7-naphthalen-2-ylnaphthalen-2-yl)dibenzofuran
CID 158865776
2-(7-naphthalen-2-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine
CID 142491219
2-[3-(6-methyl-3-pyridinyl)phenyl]-4,6-dinaphthalen-2-yl-1,5-diaza-3-azanidacyclohexa-1,5-diene
CID 144734558
2-[4-(10-dibenzofuran-3-ylanthracen-9-yl)phenyl]-7-(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran
CID 174315687

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-4-(7-naphthalen-2-yldibenzofuran-2-yl)-6-phenyl-3,5-diaza-1-azanidacyclohexa-2,4-diene?
The IUPAC name of 2-naphthalen-2-yl-4-(7-naphthalen-2-yldibenzofuran-2-yl)-6-phenyl-3,5-diaza-1-azanidacyclohexa-2,4-diene (CID 163727912) is 2-naphthalen-2-yl-4-(7-naphthalen-2-yldibenzofuran-2-yl)-6-phenyl-3,5-diaza-1-azanidacyclohexa-2,4-diene.
What is the SMILES notation for 2-naphthalen-2-yl-4-(7-naphthalen-2-yldibenzofuran-2-yl)-6-phenyl-3,5-diaza-1-azanidacyclohexa-2,4-diene?
The canonical SMILES for 2-naphthalen-2-yl-4-(7-naphthalen-2-yldibenzofuran-2-yl)-6-phenyl-3,5-diaza-1-azanidacyclohexa-2,4-diene is c1ccc(C2N=C(c3ccc4oc5cc(-c6ccc7ccccc7c6)ccc5c4c3)N=C(c3ccc4ccccc4c3)[N-]2)cc1.
What is the InChIKey of 2-naphthalen-2-yl-4-(7-naphthalen-2-yldibenzofuran-2-yl)-6-phenyl-3,5-diaza-1-azanidacyclohexa-2,4-diene?
The InChIKey is KXDXHGWJDJDZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H26N3O/c1-2-10-28(11-3-1)39-42-40(33-17-15-27-9-5-7-13-30(27)23-33)44-41(43-39)34-19-21-37-36(24-34)35-20-18-32(25-38(35)45-37)31-16-14-26-8-4-6-12-29(26)22-31/h1-25,39H/q-1.
What are the key properties of 2-naphthalen-2-yl-4-(7-naphthalen-2-yldibenzofuran-2-yl)-6-phenyl-3,5-diaza-1-azanidacyclohexa-2,4-diene?
2-naphthalen-2-yl-4-(7-naphthalen-2-yldibenzofuran-2-yl)-6-phenyl-3,5-diaza-1-azanidacyclohexa-2,4-diene has a molecular weight of 576.68 g/mol, XLogP of 10.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yl-4-(7-naphthalen-2-yldibenzofuran-2-yl)-6-phenyl-3,5-diaza-1-azanidacyclohexa-2,4-diene is sourced from PubChem (CID 163727912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).