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

C53H36 — CID 59156210

IUPAC5-(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
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)-c3cccc5c(-c6c(-c7ccccc7)cccc6-c6ccccc6)c6ccccc6c-4c35)cc21
InChIInChI=1S/C53H36/c1-53(2)47-26-12-11-19-39(47)40-29-27-36(32-48(40)53)35-28-30-44-46(31-35)43-24-14-25-45-51(42-21-10-9-20-41(42)50(44)52(43)45)49-37(33-15-5-3-6-16-33)22-13-23-38(49)34-17-7-4-8-18-34/h3-32H,1-2H3
InChIKeyDQPSFMDLANZPGV-UHFFFAOYSA-N
MW672.87 g/mol
LogP14.61
Rot. Bonds4

About 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

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 (PubChem CID 59156210) has the molecular formula C53H36 and a molecular weight of 672.87 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-(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
PubChem CID59156210
Molecular FormulaC53H36
Molecular Weight672.87 g/mol
Exact Mass672.28
IUPAC Name5-(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
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)-c3cccc5c(-c6c(-c7ccccc7)cccc6-c6ccccc6)c6ccccc6c-4c35)cc21
InChIInChI=1S/C53H36/c1-53(2)47-26-12-11-19-39(47)40-29-27-36(32-48(40)53)35-28-30-44-46(31-35)43-24-14-25-45-51(42-21-10-9-20-41(42)50(44)52(43)45)49-37(33-15-5-3-6-16-33)22-13-23-38(49)34-17-7-4-8-18-34/h3-32H,1-2H3
InChIKeyDQPSFMDLANZPGV-UHFFFAOYSA-N
XLogP14.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500672.87
LogP ≤ 514.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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
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
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-dimethylfluoren-3-yl)-10-(2,6-diphenylphenyl)anthracene
CID 171447304
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-(2-phenylphenyl)anthracene
CID 20822373
9-(9,9-dimethylfluoren-2-yl)-10-(3-phenylphenyl)anthracene
CID 58782801
9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-12,12-dimethyl-15-phenylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 58151610
9-(9,9-dimethylfluoren-2-yl)-10-[10-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-4-methoxyanthracen-9-yl]-1-methoxyanthracene
CID 20822251
3-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-7,12-diphenylbenzo[k]fluoranthene
CID 58250850
3,17-bis(9,9-dimethylfluoren-2-yl)-10,20-diphenylheptacyclo[13.9.2.02,11.04,9.012,25.016,21.022,26]hexacosa-1(25),2,4,6,8,10,12,14,16,18,20,22(26),23-tridecaene
CID 140722815
9-[9,9-dimethyl-7-[10-[10-(3-phenylphenyl)anthracen-9-yl]anthracen-9-yl]fluoren-2-yl]-10-(3-phenylphenyl)anthracene
CID 20822310

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)-c3cccc5c(-c6c(-c7ccccc7)cccc6-c6ccccc6)c6ccccc6c-4c35)cc21.
What is the InChIKey of 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?
The InChIKey is DQPSFMDLANZPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H36/c1-53(2)47-26-12-11-19-39(47)40-29-27-36(32-48(40)53)35-28-30-44-46(31-35)43-24-14-25-45-51(42-21-10-9-20-41(42)50(44)52(43)45)49-37(33-15-5-3-6-16-33)22-13-23-38(49)34-17-7-4-8-18-34/h3-32H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 672.87 g/mol, XLogP of 14.61, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 59156210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).