5-(8-phenoxazin-10-yl-5,12-dihydrotetracen-2-yl)benzene-1,3-dicarbonitrile

C38H23N3O — CID 139335324

IUPAC5-(8-phenoxazin-10-yl-5,12-dihydrotetracen-2-yl)benzene-1,3-dicarbonitrile
SMILESN#Cc1cc(C#N)cc(-c2ccc3c(c2)Cc2cc4ccc(N5c6ccccc6Oc6ccccc65)cc4cc2C3)c1
InChIInChI=1S/C38H23N3O/c39-22-24-13-25(23-40)15-29(14-24)26-9-10-27-17-32-20-33-21-34(12-11-28(33)18-31(32)19-30(27)16-26)41-35-5-1-3-7-37(35)42-38-8-4-2-6-36(38)41/h1-16,18,20-21H,17,19H2
InChIKeyPAYVBOJRAKRFMJ-UHFFFAOYSA-N
MW537.62 g/mol
LogP9.32
Rot. Bonds2

About 5-(8-phenoxazin-10-yl-5,12-dihydrotetracen-2-yl)benzene-1,3-dicarbonitrile

5-(8-phenoxazin-10-yl-5,12-dihydrotetracen-2-yl)benzene-1,3-dicarbonitrile (PubChem CID 139335324) has the molecular formula C38H23N3O and a molecular weight of 537.62 g/mol. Its IUPAC name is 5-(8-phenoxazin-10-yl-5,12-dihydrotetracen-2-yl)benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name5-(8-phenoxazin-10-yl-5,12-dihydrotetracen-2-yl)benzene-1,3-dicarbonitrile
PubChem CID139335324
Molecular FormulaC38H23N3O
Molecular Weight537.62 g/mol
Exact Mass537.18
IUPAC Name5-(8-phenoxazin-10-yl-5,12-dihydrotetracen-2-yl)benzene-1,3-dicarbonitrile
SMILESN#Cc1cc(C#N)cc(-c2ccc3c(c2)Cc2cc4ccc(N5c6ccccc6Oc6ccccc65)cc4cc2C3)c1
InChIInChI=1S/C38H23N3O/c39-22-24-13-25(23-40)15-29(14-24)26-9-10-27-17-32-20-33-21-34(12-11-28(33)18-31(32)19-30(27)16-26)41-35-5-1-3-7-37(35)42-38-8-4-2-6-36(38)41/h1-16,18,20-21H,17,19H2
InChIKeyPAYVBOJRAKRFMJ-UHFFFAOYSA-N
XLogP9.32
TPSA60.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.62
LogP ≤ 59.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-bis(4-phenoxazin-10-ylphenyl)pyridine-4-carbonitrile
CID 155034855
10-(3,5-dinaphthalen-2-ylphenyl)phenoxazine
CID 58251173
5-[8-[3-(4a,9a-dihydrocarbazol-9-yl)-6-carbazol-9-ylcarbazol-9-yl]-6,11-dihydrotetracen-2-yl]benzene-1,3-dicarbonitrile
CID 139335376
5,17-di(phenoxazin-10-yl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-11-carbonitrile
CID 163512312
3-[3-[4,6-bis[4-(3-cyanophenyl)-2-phenoxazin-10-ylphenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 170133824
2-[8-(9,9-dimethylacridin-10-yl)-5,12-dihydrotetracen-2-yl]thianthrene 5,5-dioxide
CID 139335250
6-[4-(3-phenoxazin-10-ylphenyl)phenyl]pyridine-2-carbonitrile
CID 146543442
10-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine
CID 118528381
4-[(4-cyanophenyl)-[3,5-di(phenoxazin-10-yl)phenyl]methyl]benzonitrile
CID 154990028
4-(4-phenoxazin-10-ylbenzoyl)benzonitrile
CID 140898234
10-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine
CID 118528356
10-[9-(3-naphthalen-2-ylphenyl)-6-phenoxazin-10-yl-10-phenylanthracen-2-yl]phenoxazine
CID 59219559

Frequently Asked Questions

What is the IUPAC name of 5-(8-phenoxazin-10-yl-5,12-dihydrotetracen-2-yl)benzene-1,3-dicarbonitrile?
The IUPAC name of 5-(8-phenoxazin-10-yl-5,12-dihydrotetracen-2-yl)benzene-1,3-dicarbonitrile (CID 139335324) is 5-(8-phenoxazin-10-yl-5,12-dihydrotetracen-2-yl)benzene-1,3-dicarbonitrile.
What is the SMILES notation for 5-(8-phenoxazin-10-yl-5,12-dihydrotetracen-2-yl)benzene-1,3-dicarbonitrile?
The canonical SMILES for 5-(8-phenoxazin-10-yl-5,12-dihydrotetracen-2-yl)benzene-1,3-dicarbonitrile is N#Cc1cc(C#N)cc(-c2ccc3c(c2)Cc2cc4ccc(N5c6ccccc6Oc6ccccc65)cc4cc2C3)c1.
What is the InChIKey of 5-(8-phenoxazin-10-yl-5,12-dihydrotetracen-2-yl)benzene-1,3-dicarbonitrile?
The InChIKey is PAYVBOJRAKRFMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H23N3O/c39-22-24-13-25(23-40)15-29(14-24)26-9-10-27-17-32-20-33-21-34(12-11-28(33)18-31(32)19-30(27)16-26)41-35-5-1-3-7-37(35)42-38-8-4-2-6-36(38)41/h1-16,18,20-21H,17,19H2.
What are the key properties of 5-(8-phenoxazin-10-yl-5,12-dihydrotetracen-2-yl)benzene-1,3-dicarbonitrile?
5-(8-phenoxazin-10-yl-5,12-dihydrotetracen-2-yl)benzene-1,3-dicarbonitrile has a molecular weight of 537.62 g/mol, XLogP of 9.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-phenoxazin-10-yl-5,12-dihydrotetracen-2-yl)benzene-1,3-dicarbonitrile is sourced from PubChem (CID 139335324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).