13-[4-(9,9-dimethylfluoren-2-yl)phenyl]-5-phenylpentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaene

C47H32 — CID 58160934

IUPAC13-[4-(9,9-dimethylfluoren-2-yl)phenyl]-5-phenylpentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaene
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(-c4c5ccccc5c5c6c(cccc46)-c4cc(-c6ccccc6)ccc4-5)cc3)cc21
InChIInChI=1S/C47H32/c1-47(2)42-18-9-8-13-34(42)35-25-23-33(28-43(35)47)30-19-21-31(22-20-30)44-36-14-6-7-15-37(36)45-39-26-24-32(29-11-4-3-5-12-29)27-41(39)38-16-10-17-40(44)46(38)45/h3-28H,1-2H3
InChIKeyDDBBVAOQCLABBC-UHFFFAOYSA-N
MW596.77 g/mol
LogP12.95
Rot. Bonds3

About 13-[4-(9,9-dimethylfluoren-2-yl)phenyl]-5-phenylpentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaene

13-[4-(9,9-dimethylfluoren-2-yl)phenyl]-5-phenylpentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaene (PubChem CID 58160934) has the molecular formula C47H32 and a molecular weight of 596.77 g/mol. Its IUPAC name is 13-[4-(9,9-dimethylfluoren-2-yl)phenyl]-5-phenylpentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaene.

Molecular Properties

Compound Name13-[4-(9,9-dimethylfluoren-2-yl)phenyl]-5-phenylpentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaene
PubChem CID58160934
Molecular FormulaC47H32
Molecular Weight596.77 g/mol
Exact Mass596.25
IUPAC Name13-[4-(9,9-dimethylfluoren-2-yl)phenyl]-5-phenylpentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaene
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(-c4c5ccccc5c5c6c(cccc46)-c4cc(-c6ccccc6)ccc4-5)cc3)cc21
InChIInChI=1S/C47H32/c1-47(2)42-18-9-8-13-34(42)35-25-23-33(28-43(35)47)30-19-21-31(22-20-30)44-36-14-6-7-15-37(36)45-39-26-24-32(29-11-4-3-5-12-29)27-41(39)38-16-10-17-40(44)46(38)45/h3-28H,1-2H3
InChIKeyDDBBVAOQCLABBC-UHFFFAOYSA-N
XLogP12.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.77
LogP ≤ 512.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 13-[4-(9,9-dimethylfluoren-2-yl)phenyl]-5-phenylpentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaene with MolForge

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Related Compounds

5-(9,9-dimethylfluoren-2-yl)-13-[4-(9,9-dimethylfluoren-2-yl)phenyl]pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaene
CID 59156217
5-(9,9-dimethylfluoren-2-yl)-13-(2,6-diphenylphenyl)pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaene
CID 59156210
9-(9,9-dimethylfluoren-2-yl)-10-(3-phenylphenyl)anthracene
CID 58782801
9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-[10-(3-phenylphenyl)anthracen-9-yl]anthracene
CID 20822243
9-(9,9-dimethylfluoren-2-yl)-10-[7-[10-(9,9-dimethylfluoren-2-yl)-4-phenylanthracen-9-yl]-9,9-dimethylfluoren-2-yl]-1-phenylanthracene
CID 20822392
9-(9,9-dimethyl-7-phenylfluoren-2-yl)-10-phenylanthracene
CID 20822329
9-(9,9-dimethylfluoren-2-yl)-2-phenyl-10-[3-(4-phenylphenyl)phenyl]anthracene
CID 59194700
9-(9,9-dimethylfluoren-3-yl)-10-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylanthracene
CID 59195039
3-[10-(9,9-dimethylfluoren-2-yl)-2-phenylanthracen-9-yl]fluoranthene
CID 58323064
9-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-10-phenylanthracene
CID 123170824
9-(9,9-dimethylfluoren-2-yl)-10-[7-(2,3-dimethyl-10-phenylanthracen-9-yl)-9,9-dimethylfluoren-2-yl]-2,3-dimethylanthracene
CID 20822196
9-(9,9-dimethylfluoren-2-yl)-10-(2-phenylphenyl)anthracene
CID 20822373

Frequently Asked Questions

What is the IUPAC name of 13-[4-(9,9-dimethylfluoren-2-yl)phenyl]-5-phenylpentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaene?
The IUPAC name of 13-[4-(9,9-dimethylfluoren-2-yl)phenyl]-5-phenylpentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaene (CID 58160934) is 13-[4-(9,9-dimethylfluoren-2-yl)phenyl]-5-phenylpentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaene.
What is the SMILES notation for 13-[4-(9,9-dimethylfluoren-2-yl)phenyl]-5-phenylpentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaene?
The canonical SMILES for 13-[4-(9,9-dimethylfluoren-2-yl)phenyl]-5-phenylpentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaene is CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4c5ccccc5c5c6c(cccc46)-c4cc(-c6ccccc6)ccc4-5)cc3)cc21.
What is the InChIKey of 13-[4-(9,9-dimethylfluoren-2-yl)phenyl]-5-phenylpentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaene?
The InChIKey is DDBBVAOQCLABBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H32/c1-47(2)42-18-9-8-13-34(42)35-25-23-33(28-43(35)47)30-19-21-31(22-20-30)44-36-14-6-7-15-37(36)45-39-26-24-32(29-11-4-3-5-12-29)27-41(39)38-16-10-17-40(44)46(38)45/h3-28H,1-2H3.
What are the key properties of 13-[4-(9,9-dimethylfluoren-2-yl)phenyl]-5-phenylpentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaene?
13-[4-(9,9-dimethylfluoren-2-yl)phenyl]-5-phenylpentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaene has a molecular weight of 596.77 g/mol, XLogP of 12.95, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 13-[4-(9,9-dimethylfluoren-2-yl)phenyl]-5-phenylpentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaene is sourced from PubChem (CID 58160934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).