9,9,14,14-tetramethyl-5-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene

C54H40 — CID 140784213

IUPAC9,9,14,14-tetramethyl-5-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
SMILESCC1(C)c2ccccc2-c2c1ccc1c2-c2cc(-c3ccc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc45)cc3)ccc2C1(C)C
InChIInChI=1S/C54H40/c1-53(2)45-20-12-11-19-43(45)51-47(53)29-30-48-52(51)44-32-37(27-28-46(44)54(48,3)4)34-21-24-35(25-22-34)49-39-15-7-9-17-41(39)50(42-18-10-8-16-40(42)49)38-26-23-33-13-5-6-14-36(33)31-38/h5-32H,1-4H3
InChIKeyPRLPEKXVZVDLTB-UHFFFAOYSA-N
MW688.91 g/mol
LogP14.76
Rot. Bonds3

About 9,9,14,14-tetramethyl-5-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene

9,9,14,14-tetramethyl-5-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene (PubChem CID 140784213) has the molecular formula C54H40 and a molecular weight of 688.91 g/mol. Its IUPAC name is 9,9,14,14-tetramethyl-5-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene.

Molecular Properties

Compound Name9,9,14,14-tetramethyl-5-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
PubChem CID140784213
Molecular FormulaC54H40
Molecular Weight688.91 g/mol
Exact Mass688.31
IUPAC Name9,9,14,14-tetramethyl-5-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
SMILESCC1(C)c2ccccc2-c2c1ccc1c2-c2cc(-c3ccc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc45)cc3)ccc2C1(C)C
InChIInChI=1S/C54H40/c1-53(2)45-20-12-11-19-43(45)51-47(53)29-30-48-52(51)44-32-37(27-28-46(44)54(48,3)4)34-21-24-35(25-22-34)49-39-15-7-9-17-41(39)50(42-18-10-8-16-40(42)49)38-26-23-33-13-5-6-14-36(33)31-38/h5-32H,1-4H3
InChIKeyPRLPEKXVZVDLTB-UHFFFAOYSA-N
XLogP14.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.91
LogP ≤ 514.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 9,9,14,14-tetramethyl-5-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene with MolForge

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Related Compounds

9-(9,9-dimethylfluoren-3-yl)-2-naphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene
CID 59196621
7,7-dimethyl-10-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]benzo[c]fluorene;7,7-dimethyl-10-[4-(10-phenylanthracen-9-yl)phenyl]benzo[c]fluorene
CID 157086899
9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-naphthalen-2-ylanthracene
CID 20822253
9,9,14,14-tetramethyl-6-(6-naphthalen-2-ylnaphthalen-2-yl)pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 140710622
14,14-dimethyl-8-naphthalen-2-ylpentacyclo[11.7.1.02,7.09,21.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene
CID 140800333
9-(9,9-dimethylfluoren-2-yl)-10-[10-[7-[9,9-dimethyl-7-(10-naphthalen-2-ylanthracen-9-yl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]anthracen-9-yl]anthracene
CID 20822351
7,7-dimethyl-10-[4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]benzo[c]fluorene;7,7-dimethyl-10-[4-[10-(3-phenanthren-9-ylphenyl)anthracen-9-yl]phenyl]benzo[c]fluorene
CID 161066800
7,7-dimethyl-5-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]benzo[c]fluorene
CID 163434159
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
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
9-(9,9-dimethylfluoren-4-yl)-2-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene
CID 59196441
9-(9,9-dimethylfluoren-2-yl)-10-(10-naphthalen-2-ylanthracen-9-yl)anthracene
CID 20822332

Frequently Asked Questions

What is the IUPAC name of 9,9,14,14-tetramethyl-5-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene?
The IUPAC name of 9,9,14,14-tetramethyl-5-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene (CID 140784213) is 9,9,14,14-tetramethyl-5-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene.
What is the SMILES notation for 9,9,14,14-tetramethyl-5-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene?
The canonical SMILES for 9,9,14,14-tetramethyl-5-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene is CC1(C)c2ccccc2-c2c1ccc1c2-c2cc(-c3ccc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc45)cc3)ccc2C1(C)C.
What is the InChIKey of 9,9,14,14-tetramethyl-5-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene?
The InChIKey is PRLPEKXVZVDLTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H40/c1-53(2)45-20-12-11-19-43(45)51-47(53)29-30-48-52(51)44-32-37(27-28-46(44)54(48,3)4)34-21-24-35(25-22-34)49-39-15-7-9-17-41(39)50(42-18-10-8-16-40(42)49)38-26-23-33-13-5-6-14-36(33)31-38/h5-32H,1-4H3.
What are the key properties of 9,9,14,14-tetramethyl-5-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene?
9,9,14,14-tetramethyl-5-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene has a molecular weight of 688.91 g/mol, XLogP of 14.76, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9,14,14-tetramethyl-5-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene is sourced from PubChem (CID 140784213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).