14,21-bis(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-17-naphthalen-2-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene

C63H48 — CID 58175295

IUPAC14,21-bis(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-17-naphthalen-2-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
SMILESCC1(C)c2ccccc2-c2ccc(-c3c4ccc(-c5ccc6ccccc6c5)cc4c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4cc5c(cc34)-c3ccccc3C5(C)C)cc21
InChIInChI=1S/C63H48/c1-61(2)53-20-12-9-17-43(53)46-28-26-41(33-56(46)61)59-48-30-25-40(39-24-23-37-15-7-8-16-38(37)31-39)32-50(48)60(42-27-29-47-44-18-10-13-21-54(44)62(3,4)57(47)34-42)52-36-58-49(35-51(52)59)45-19-11-14-22-55(45)63(58,5)6/h7-36H,1-6H3
InChIKeyKHCVBTVDTLCKQT-UHFFFAOYSA-N
MW805.08 g/mol
LogP17.07
Rot. Bonds3

About 14,21-bis(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-17-naphthalen-2-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene

14,21-bis(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-17-naphthalen-2-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene (PubChem CID 58175295) has the molecular formula C63H48 and a molecular weight of 805.08 g/mol. Its IUPAC name is 14,21-bis(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-17-naphthalen-2-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene.

Molecular Properties

Compound Name14,21-bis(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-17-naphthalen-2-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
PubChem CID58175295
Molecular FormulaC63H48
Molecular Weight805.08 g/mol
Exact Mass804.38
IUPAC Name14,21-bis(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-17-naphthalen-2-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
SMILESCC1(C)c2ccccc2-c2ccc(-c3c4ccc(-c5ccc6ccccc6c5)cc4c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4cc5c(cc34)-c3ccccc3C5(C)C)cc21
InChIInChI=1S/C63H48/c1-61(2)53-20-12-9-17-43(53)46-28-26-41(33-56(46)61)59-48-30-25-40(39-24-23-37-15-7-8-16-38(37)31-39)32-50(48)60(42-27-29-47-44-18-10-13-21-54(44)62(3,4)57(47)34-42)52-36-58-49(35-51(52)59)45-19-11-14-22-55(45)63(58,5)6/h7-36H,1-6H3
InChIKeyKHCVBTVDTLCKQT-UHFFFAOYSA-N
XLogP17.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500805.08
LogP ≤ 517.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 14,21-bis(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-17-naphthalen-2-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene with MolForge

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Related Compounds

10,10-dimethyl-14,21-dinaphthalen-2-yl-18-phenylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 123220350
10,10-dimethyl-14,21-dinaphthalen-2-yl-7,17-diphenylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene
CID 123577750
10,10-dimethyl-7,14,21-trinaphthalen-2-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene
CID 58175364
10-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-9-phenylanthracene
CID 58323304
2-(9,9-dimethylfluoren-2-yl)-9,10-bis(3-naphthalen-2-ylphenyl)anthracene
CID 143930053
10,10-dimethyl-17-naphthalen-2-yl-14,21-bis(4-phenylphenyl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 58175422
9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene
CID 59195124
9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-naphthalen-2-ylanthracene
CID 20822253
9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-10-(10-phenylanthracen-9-yl)anthracene
CID 59195394
10-(9,9-dimethylfluoren-2-yl)-2,9-dinaphthalen-2-ylanthracene;2,10-diphenyl-9-(4-phenylphenyl)anthracene;2,9,10-tris(9,9-dimethylfluoren-2-yl)anthracene
CID 162071769
10-anthracen-9-yl-9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-ylanthracene
CID 59196658
9,10-bis(4-phenylphenyl)-2-[10-(4-phenylphenyl)anthracen-9-yl]anthracene;2-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,10-bis(4-phenylphenyl)anthracene;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-9,10-bis(4-phenylphenyl)anthracene
CID 159520005

Frequently Asked Questions

What is the IUPAC name of 14,21-bis(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-17-naphthalen-2-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene?
The IUPAC name of 14,21-bis(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-17-naphthalen-2-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene (CID 58175295) is 14,21-bis(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-17-naphthalen-2-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene.
What is the SMILES notation for 14,21-bis(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-17-naphthalen-2-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene?
The canonical SMILES for 14,21-bis(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-17-naphthalen-2-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene is CC1(C)c2ccccc2-c2ccc(-c3c4ccc(-c5ccc6ccccc6c5)cc4c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4cc5c(cc34)-c3ccccc3C5(C)C)cc21.
What is the InChIKey of 14,21-bis(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-17-naphthalen-2-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene?
The InChIKey is KHCVBTVDTLCKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H48/c1-61(2)53-20-12-9-17-43(53)46-28-26-41(33-56(46)61)59-48-30-25-40(39-24-23-37-15-7-8-16-38(37)31-39)32-50(48)60(42-27-29-47-44-18-10-13-21-54(44)62(3,4)57(47)34-42)52-36-58-49(35-51(52)59)45-19-11-14-22-55(45)63(58,5)6/h7-36H,1-6H3.
What are the key properties of 14,21-bis(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-17-naphthalen-2-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene?
14,21-bis(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-17-naphthalen-2-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene has a molecular weight of 805.08 g/mol, XLogP of 17.07, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 14,21-bis(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-17-naphthalen-2-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene is sourced from PubChem (CID 58175295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).