7-(4-phenylphenyl)hexacyclo[12.11.0.02,11.05,10.016,24.018,23]pentacosa-1(25),2(11),3,5(10),6,8,12,14,16(24),18,20,22-dodecaene

C37H24 — CID 123892703

IUPAC7-(4-phenylphenyl)hexacyclo[12.11.0.02,11.05,10.016,24.018,23]pentacosa-1(25),2(11),3,5(10),6,8,12,14,16(24),18,20,22-dodecaene
SMILESc1ccc(-c2ccc(-c3ccc4c(ccc5c6cc7c(cc6ccc45)Cc4ccccc4-7)c3)cc2)cc1
InChIInChI=1S/C37H24/c1-2-6-24(7-3-1)25-10-12-26(13-11-25)27-14-17-33-29(20-27)15-19-35-34(33)18-16-30-22-31-21-28-8-4-5-9-32(28)37(31)23-36(30)35/h1-20,22-23H,21H2
InChIKeyPWBOSPMGZQUBMH-UHFFFAOYSA-N
MW468.60 g/mol
LogP10.05
Rot. Bonds2

About 7-(4-phenylphenyl)hexacyclo[12.11.0.02,11.05,10.016,24.018,23]pentacosa-1(25),2(11),3,5(10),6,8,12,14,16(24),18,20,22-dodecaene

7-(4-phenylphenyl)hexacyclo[12.11.0.02,11.05,10.016,24.018,23]pentacosa-1(25),2(11),3,5(10),6,8,12,14,16(24),18,20,22-dodecaene (PubChem CID 123892703) has the molecular formula C37H24 and a molecular weight of 468.60 g/mol. Its IUPAC name is 7-(4-phenylphenyl)hexacyclo[12.11.0.02,11.05,10.016,24.018,23]pentacosa-1(25),2(11),3,5(10),6,8,12,14,16(24),18,20,22-dodecaene.

Molecular Properties

Compound Name7-(4-phenylphenyl)hexacyclo[12.11.0.02,11.05,10.016,24.018,23]pentacosa-1(25),2(11),3,5(10),6,8,12,14,16(24),18,20,22-dodecaene
PubChem CID123892703
Molecular FormulaC37H24
Molecular Weight468.60 g/mol
Exact Mass468.19
IUPAC Name7-(4-phenylphenyl)hexacyclo[12.11.0.02,11.05,10.016,24.018,23]pentacosa-1(25),2(11),3,5(10),6,8,12,14,16(24),18,20,22-dodecaene
SMILESc1ccc(-c2ccc(-c3ccc4c(ccc5c6cc7c(cc6ccc45)Cc4ccccc4-7)c3)cc2)cc1
InChIInChI=1S/C37H24/c1-2-6-24(7-3-1)25-10-12-26(13-11-25)27-14-17-33-29(20-27)15-19-35-34(33)18-16-30-22-31-21-28-8-4-5-9-32(28)37(31)23-36(30)35/h1-20,22-23H,21H2
InChIKeyPWBOSPMGZQUBMH-UHFFFAOYSA-N
XLogP10.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.60
LogP ≤ 510.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 7-(4-phenylphenyl)hexacyclo[12.11.0.02,11.05,10.016,24.018,23]pentacosa-1(25),2(11),3,5(10),6,8,12,14,16(24),18,20,22-dodecaene with MolForge

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Related Compounds

hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,24-dodecaene;pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene;pentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 163701410
hexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaene
CID 157080785
anthracene;1,3-diphenylbenzene;bis(9H-fluorene);methane;naphthalene;phenanthrene;triphenylene;1,4-xylene
CID 159089276
3-(6-methylnaphthalen-2-yl)-9H-fluorene
CID 123870070
3-phenylbenzo[a]anthracene
CID 59412661
9-(9H-fluoren-3-yl)-10-naphthalen-2-ylanthracene
CID 143848174
2-[4-[10-(9H-fluoren-3-yl)triphenylen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 155198239
2-(4-naphthalen-2-ylphenyl)-7-[7-(4-phenylphenyl)phenanthren-2-yl]phenanthrene
CID 59629194
1,1'-biphenyl;9H-fluorene;hydrazine
CID 157286275
4-(9H-fluoren-3-yl)-N,N-diphenylaniline
CID 157436916
2-[4-[[4-(9H-fluoren-2-yl)phenyl]-[4-(4-phenylphenyl)phenyl]methyl]phenyl]-9H-fluorene
CID 164833806
nonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1,3(18),4(16),5,8,10,12,14,19,21(33),22,25,27,29,31-pentadecaene
CID 59863436

Frequently Asked Questions

What is the IUPAC name of 7-(4-phenylphenyl)hexacyclo[12.11.0.02,11.05,10.016,24.018,23]pentacosa-1(25),2(11),3,5(10),6,8,12,14,16(24),18,20,22-dodecaene?
The IUPAC name of 7-(4-phenylphenyl)hexacyclo[12.11.0.02,11.05,10.016,24.018,23]pentacosa-1(25),2(11),3,5(10),6,8,12,14,16(24),18,20,22-dodecaene (CID 123892703) is 7-(4-phenylphenyl)hexacyclo[12.11.0.02,11.05,10.016,24.018,23]pentacosa-1(25),2(11),3,5(10),6,8,12,14,16(24),18,20,22-dodecaene.
What is the SMILES notation for 7-(4-phenylphenyl)hexacyclo[12.11.0.02,11.05,10.016,24.018,23]pentacosa-1(25),2(11),3,5(10),6,8,12,14,16(24),18,20,22-dodecaene?
The canonical SMILES for 7-(4-phenylphenyl)hexacyclo[12.11.0.02,11.05,10.016,24.018,23]pentacosa-1(25),2(11),3,5(10),6,8,12,14,16(24),18,20,22-dodecaene is c1ccc(-c2ccc(-c3ccc4c(ccc5c6cc7c(cc6ccc45)Cc4ccccc4-7)c3)cc2)cc1.
What is the InChIKey of 7-(4-phenylphenyl)hexacyclo[12.11.0.02,11.05,10.016,24.018,23]pentacosa-1(25),2(11),3,5(10),6,8,12,14,16(24),18,20,22-dodecaene?
The InChIKey is PWBOSPMGZQUBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H24/c1-2-6-24(7-3-1)25-10-12-26(13-11-25)27-14-17-33-29(20-27)15-19-35-34(33)18-16-30-22-31-21-28-8-4-5-9-32(28)37(31)23-36(30)35/h1-20,22-23H,21H2.
What are the key properties of 7-(4-phenylphenyl)hexacyclo[12.11.0.02,11.05,10.016,24.018,23]pentacosa-1(25),2(11),3,5(10),6,8,12,14,16(24),18,20,22-dodecaene?
7-(4-phenylphenyl)hexacyclo[12.11.0.02,11.05,10.016,24.018,23]pentacosa-1(25),2(11),3,5(10),6,8,12,14,16(24),18,20,22-dodecaene has a molecular weight of 468.60 g/mol, XLogP of 10.05, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-phenylphenyl)hexacyclo[12.11.0.02,11.05,10.016,24.018,23]pentacosa-1(25),2(11),3,5(10),6,8,12,14,16(24),18,20,22-dodecaene is sourced from PubChem (CID 123892703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).