2-[4-(7,10-diphenylfluoranthen-8-yl)phenyl]-4-[(2E,4Z)-hexa-2,4-dien-3-yl]quinazoline

C48H34N2 — CID 137418785

IUPAC2-[4-(7,10-diphenylfluoranthen-8-yl)phenyl]-4-[(2E,4Z)-hexa-2,4-dien-3-yl]quinazoline
SMILESC/C=C\C(=C/C)c1nc(-c2ccc(-c3cc(-c4ccccc4)c4c(c3-c3ccccc3)-c3cccc5cccc-4c35)cc2)nc2ccccc12
InChIInChI=1S/C48H34N2/c1-3-15-31(4-2)47-37-22-11-12-25-42(37)49-48(50-47)36-28-26-33(27-29-36)40-30-41(32-16-7-5-8-17-32)45-38-23-13-20-34-21-14-24-39(43(34)38)46(45)44(40)35-18-9-6-10-19-35/h3-30H,1-2H3/b15-3-,31-4+
InChIKeyOABQCCZQPMKJBF-YSGXMSJASA-N
MW638.81 g/mol
LogP13.08
Rot. Bonds6

About 2-[4-(7,10-diphenylfluoranthen-8-yl)phenyl]-4-[(2E,4Z)-hexa-2,4-dien-3-yl]quinazoline

2-[4-(7,10-diphenylfluoranthen-8-yl)phenyl]-4-[(2E,4Z)-hexa-2,4-dien-3-yl]quinazoline (PubChem CID 137418785) has the molecular formula C48H34N2 and a molecular weight of 638.81 g/mol. Its IUPAC name is 2-[4-(7,10-diphenylfluoranthen-8-yl)phenyl]-4-[(2E,4Z)-hexa-2,4-dien-3-yl]quinazoline.

Molecular Properties

Compound Name2-[4-(7,10-diphenylfluoranthen-8-yl)phenyl]-4-[(2E,4Z)-hexa-2,4-dien-3-yl]quinazoline
PubChem CID137418785
Molecular FormulaC48H34N2
Molecular Weight638.81 g/mol
Exact Mass638.27
IUPAC Name2-[4-(7,10-diphenylfluoranthen-8-yl)phenyl]-4-[(2E,4Z)-hexa-2,4-dien-3-yl]quinazoline
SMILESC/C=C\C(=C/C)c1nc(-c2ccc(-c3cc(-c4ccccc4)c4c(c3-c3ccccc3)-c3cccc5cccc-4c35)cc2)nc2ccccc12
InChIInChI=1S/C48H34N2/c1-3-15-31(4-2)47-37-22-11-12-25-42(37)49-48(50-47)36-28-26-33(27-29-36)40-30-41(32-16-7-5-8-17-32)45-38-23-13-20-34-21-14-24-39(43(34)38)46(45)44(40)35-18-9-6-10-19-35/h3-30H,1-2H3/b15-3-,31-4+
InChIKeyOABQCCZQPMKJBF-YSGXMSJASA-N
XLogP13.08
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.81
LogP ≤ 513.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[4-(7,10-diphenylfluoranthen-8-yl)phenyl]-4-[(2E,4Z)-hexa-2,4-dien-3-yl]quinazoline with MolForge

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Related Compounds

2-[4-(7,10-diphenylfluoranthen-8-yl)phenyl]-4,6-diphenylpyrimidine
CID 118314536
7,10-diphenyl-8-(4-phenylphenyl)fluoranthene
CID 59844130
4-[3-[4-[4-(7,10-diphenylfluoranthen-8-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]aniline
CID 166868488
3-[2-[4-(7,10-diphenylfluoranthen-8-yl)phenyl]-6-phenylpyrimidin-4-yl]aniline
CID 166868436
2-[(2E,4Z)-hexa-2,4-dien-3-yl]-4-phenyl-6-[4-[6-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]phenyl]-1,3,5-triazine
CID 121257999
5-(7,10-diphenylfluoranthen-8-yl)naphthalen-1-amine
CID 166868480
4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-[(2E,4Z)-hexa-2,4-dien-3-yl]-[1]benzofuro[3,2-c]quinoline
CID 146498575
1-[(2E,4Z)-hexa-2,4-dien-3-yl]-8-phenylnaphthalene
CID 174100337
N-[(1E,3Z)-2-[3-[6-phenyl-2-[4-(10-phenylanthracen-9-yl)phenyl]pyrimidin-4-yl]phenyl]penta-1,3-dienyl]methanimine
CID 130461932
8-phenyl-7,10-bis[3-(3-phenylphenyl)phenyl]fluoranthene
CID 123560042
8-[3,5-bis(diphenylphosphoryl)phenyl]-7,10-diphenylfluoranthene
CID 118028356
4-[4-(7,10-diphenylfluoranthen-8-yl)phenyl]benzonitrile
CID 166868316

Frequently Asked Questions

What is the IUPAC name of 2-[4-(7,10-diphenylfluoranthen-8-yl)phenyl]-4-[(2E,4Z)-hexa-2,4-dien-3-yl]quinazoline?
The IUPAC name of 2-[4-(7,10-diphenylfluoranthen-8-yl)phenyl]-4-[(2E,4Z)-hexa-2,4-dien-3-yl]quinazoline (CID 137418785) is 2-[4-(7,10-diphenylfluoranthen-8-yl)phenyl]-4-[(2E,4Z)-hexa-2,4-dien-3-yl]quinazoline.
What is the SMILES notation for 2-[4-(7,10-diphenylfluoranthen-8-yl)phenyl]-4-[(2E,4Z)-hexa-2,4-dien-3-yl]quinazoline?
The canonical SMILES for 2-[4-(7,10-diphenylfluoranthen-8-yl)phenyl]-4-[(2E,4Z)-hexa-2,4-dien-3-yl]quinazoline is C/C=C\C(=C/C)c1nc(-c2ccc(-c3cc(-c4ccccc4)c4c(c3-c3ccccc3)-c3cccc5cccc-4c35)cc2)nc2ccccc12.
What is the InChIKey of 2-[4-(7,10-diphenylfluoranthen-8-yl)phenyl]-4-[(2E,4Z)-hexa-2,4-dien-3-yl]quinazoline?
The InChIKey is OABQCCZQPMKJBF-YSGXMSJASA-N. The full InChI is InChI=1S/C48H34N2/c1-3-15-31(4-2)47-37-22-11-12-25-42(37)49-48(50-47)36-28-26-33(27-29-36)40-30-41(32-16-7-5-8-17-32)45-38-23-13-20-34-21-14-24-39(43(34)38)46(45)44(40)35-18-9-6-10-19-35/h3-30H,1-2H3/b15-3-,31-4+.
What are the key properties of 2-[4-(7,10-diphenylfluoranthen-8-yl)phenyl]-4-[(2E,4Z)-hexa-2,4-dien-3-yl]quinazoline?
2-[4-(7,10-diphenylfluoranthen-8-yl)phenyl]-4-[(2E,4Z)-hexa-2,4-dien-3-yl]quinazoline has a molecular weight of 638.81 g/mol, XLogP of 13.08, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(7,10-diphenylfluoranthen-8-yl)phenyl]-4-[(2E,4Z)-hexa-2,4-dien-3-yl]quinazoline is sourced from PubChem (CID 137418785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).