5,7-diphenylbenzo[c]phenanthrene

C30H20 — CID 123858461

IUPAC5,7-diphenylbenzo[c]phenanthrene
SMILESc1ccc(-c2cc3c(-c4ccccc4)cc4ccccc4c3c3ccccc23)cc1
InChIInChI=1S/C30H20/c1-3-11-21(12-4-1)27-19-23-15-7-8-16-24(23)30-26-18-10-9-17-25(26)28(20-29(27)30)22-13-5-2-6-14-22/h1-20H
InChIKeyDRQNAQANDJQRRQ-UHFFFAOYSA-N
MW380.49 g/mol
LogP8.48
Rot. Bonds2

About 5,7-diphenylbenzo[c]phenanthrene

5,7-diphenylbenzo[c]phenanthrene (PubChem CID 123858461) has the molecular formula C30H20 and a molecular weight of 380.49 g/mol. Its IUPAC name is 5,7-diphenylbenzo[c]phenanthrene.

Molecular Properties

Compound Name5,7-diphenylbenzo[c]phenanthrene
PubChem CID123858461
Molecular FormulaC30H20
Molecular Weight380.49 g/mol
Exact Mass380.16
IUPAC Name5,7-diphenylbenzo[c]phenanthrene
SMILESc1ccc(-c2cc3c(-c4ccccc4)cc4ccccc4c3c3ccccc23)cc1
InChIInChI=1S/C30H20/c1-3-11-21(12-4-1)27-19-23-15-7-8-16-24(23)30-26-18-10-9-17-25(26)28(20-29(27)30)22-13-5-2-6-14-22/h1-20H
InChIKeyDRQNAQANDJQRRQ-UHFFFAOYSA-N
XLogP8.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.49
LogP ≤ 58.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

5,8-bis(4-phenylphenyl)benzo[c]phenanthrene
CID 58526355
5-phenylpentacyclo[6.6.2.02,7.04,16.011,15]hexadeca-1(14),2,4,6,8(16),9,11(15),12-octaene
CID 162640084
14,18,22,33,37,42,44,46-octakis-phenyltridecacyclo[22.14.2.22,5.26,9.225,28.03,20.04,17.07,16.08,13.021,39.026,35.027,32.036,40]hexatetraconta-1(39),2(46),3,5(45),6(44),7,9(43),10,12,14,16,18,20,22,24(40),25(42),26,28(41),29,31,33,35,37-tricosaene
CID 140707300
8-naphthalen-2-yl-3-phenylbenzo[c]phenanthrene
CID 123277337
2,7-bis(3-phenylphenyl)benzo[c]phenanthrene
CID 140710635
9-(3-phenylphenyl)hexacyclo[16.8.0.02,11.03,8.012,17.019,24]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaene
CID 140710773
N-(4-benzo[c]phenanthren-5-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline
CID 167183664
2-[4-[4-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 137393008
2-[4-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 137393003
1,2-dimethoxy-5,11-diphenylchrysene
CID 87132539
21-(4-phenylnaphthalen-1-yl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 59629424
10-naphthalen-2-yl-21-(4-phenylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaene
CID 59629422

Frequently Asked Questions

What is the IUPAC name of 5,7-diphenylbenzo[c]phenanthrene?
The IUPAC name of 5,7-diphenylbenzo[c]phenanthrene (CID 123858461) is 5,7-diphenylbenzo[c]phenanthrene.
What is the SMILES notation for 5,7-diphenylbenzo[c]phenanthrene?
The canonical SMILES for 5,7-diphenylbenzo[c]phenanthrene is c1ccc(-c2cc3c(-c4ccccc4)cc4ccccc4c3c3ccccc23)cc1.
What is the InChIKey of 5,7-diphenylbenzo[c]phenanthrene?
The InChIKey is DRQNAQANDJQRRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20/c1-3-11-21(12-4-1)27-19-23-15-7-8-16-24(23)30-26-18-10-9-17-25(26)28(20-29(27)30)22-13-5-2-6-14-22/h1-20H.
What are the key properties of 5,7-diphenylbenzo[c]phenanthrene?
5,7-diphenylbenzo[c]phenanthrene has a molecular weight of 380.49 g/mol, XLogP of 8.48, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-diphenylbenzo[c]phenanthrene is sourced from PubChem (CID 123858461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).