5-ethenyl-6,6,14-trimethyl-11-(10-phenylanthracen-9-yl)-4-prop-1-enylpentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),4,8,11,15,17,19-nonaene

C48H38 — CID 91149785

IUPAC5-ethenyl-6,6,14-trimethyl-11-(10-phenylanthracen-9-yl)-4-prop-1-enylpentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),4,8,11,15,17,19-nonaene
SMILESC=CC1=C(C=CC)c2c(ccc3c(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc4c(c23)-c2ccccc2C4C)C1(C)C
InChIInChI=1S/C48H38/c1-6-17-38-41(7-2)48(4,5)42-27-26-37-40(28-39-29(3)31-20-11-12-21-32(31)45(39)47(37)46(38)42)44-35-24-15-13-22-33(35)43(30-18-9-8-10-19-30)34-23-14-16-25-36(34)44/h6-29H,2H2,1,3-5H3
InChIKeyPZUUPFUTUUUBSP-UHFFFAOYSA-N
MW614.83 g/mol
LogP13.42
Rot. Bonds4

About 5-ethenyl-6,6,14-trimethyl-11-(10-phenylanthracen-9-yl)-4-prop-1-enylpentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),4,8,11,15,17,19-nonaene

5-ethenyl-6,6,14-trimethyl-11-(10-phenylanthracen-9-yl)-4-prop-1-enylpentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),4,8,11,15,17,19-nonaene (PubChem CID 91149785) has the molecular formula C48H38 and a molecular weight of 614.83 g/mol. Its IUPAC name is 5-ethenyl-6,6,14-trimethyl-11-(10-phenylanthracen-9-yl)-4-prop-1-enylpentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),4,8,11,15,17,19-nonaene.

Molecular Properties

Compound Name5-ethenyl-6,6,14-trimethyl-11-(10-phenylanthracen-9-yl)-4-prop-1-enylpentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),4,8,11,15,17,19-nonaene
PubChem CID91149785
Molecular FormulaC48H38
Molecular Weight614.83 g/mol
Exact Mass614.30
IUPAC Name5-ethenyl-6,6,14-trimethyl-11-(10-phenylanthracen-9-yl)-4-prop-1-enylpentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),4,8,11,15,17,19-nonaene
SMILESC=CC1=C(C=CC)c2c(ccc3c(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc4c(c23)-c2ccccc2C4C)C1(C)C
InChIInChI=1S/C48H38/c1-6-17-38-41(7-2)48(4,5)42-27-26-37-40(28-39-29(3)31-20-11-12-21-32(31)45(39)47(37)46(38)42)44-35-24-15-13-22-33(35)43(30-18-9-8-10-19-30)34-23-14-16-25-36(34)44/h6-29H,2H2,1,3-5H3
InChIKeyPZUUPFUTUUUBSP-UHFFFAOYSA-N
XLogP13.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.83
LogP ≤ 513.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 5-ethenyl-6,6,14-trimethyl-11-(10-phenylanthracen-9-yl)-4-prop-1-enylpentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),4,8,11,15,17,19-nonaene with MolForge

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Related Compounds

5-[10-(3,4-diphenylphenyl)-2-phenylanthracen-9-yl]-7-methyl-7H-benzo[c]fluorene
CID 91392280
ethane;3-[2-[[2-ethenyl-1,1-dimethyl-3-[(Z)-prop-1-enyl]inden-4-yl]methyl]phenyl]-9,9-dimethyl-1,2-dihydrofluorene;9-methyl-3-(4-methylphenyl)-9H-fluorene
CID 156827092
N-[4-(9H-carbazol-3-yl)phenyl]-2-ethenyl-3,3-dimethyl-N-(4-phenylphenyl)-1-[(Z)-prop-1-enyl]inden-5-amine
CID 145426312
9-(9-methyl-9H-fluoren-2-yl)-10-phenylanthracene
CID 20822440
2-[3-[3-[2-ethenyl-1,1-dimethyl-3-[(Z)-prop-1-enyl]inden-5-yl]phenyl]phenyl]-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 145110857
2-ethenyl-1,1-dimethyl-5-[3-[(3Z)-penta-1,3-dien-2-yl]phenyl]-3-[(Z)-prop-1-enyl]indene;toluene
CID 153369703
23-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[2-ethenyl-1,1-dimethyl-3-[(Z)-prop-1-enyl]inden-5-yl]-19-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8(13),9,11,14,16(24),17(22),18,20-dodecaene
CID 137380846
9-methyl-9H-fluorene;prop-1-ene
CID 145012304
4-[3-[2-ethenyl-3,3-dimethyl-1-[(Z)-prop-1-enyl]inden-5-yl]phenyl]-2,6-diphenylpyrimidine
CID 134274559
2-[2-[2-ethenyl-3-[(Z)-prop-1-enyl]spiro[indene-1,21'-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene]-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 135245202
9,10-diphenylanthracene;ethane;prop-1-ene
CID 90840257
9,9,21,21-tetramethyl-6,18-bis(10-phenylanthracen-9-yl)hexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene
CID 59182575

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-6,6,14-trimethyl-11-(10-phenylanthracen-9-yl)-4-prop-1-enylpentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),4,8,11,15,17,19-nonaene?
The IUPAC name of 5-ethenyl-6,6,14-trimethyl-11-(10-phenylanthracen-9-yl)-4-prop-1-enylpentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),4,8,11,15,17,19-nonaene (CID 91149785) is 5-ethenyl-6,6,14-trimethyl-11-(10-phenylanthracen-9-yl)-4-prop-1-enylpentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),4,8,11,15,17,19-nonaene.
What is the SMILES notation for 5-ethenyl-6,6,14-trimethyl-11-(10-phenylanthracen-9-yl)-4-prop-1-enylpentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),4,8,11,15,17,19-nonaene?
The canonical SMILES for 5-ethenyl-6,6,14-trimethyl-11-(10-phenylanthracen-9-yl)-4-prop-1-enylpentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),4,8,11,15,17,19-nonaene is C=CC1=C(C=CC)c2c(ccc3c(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc4c(c23)-c2ccccc2C4C)C1(C)C.
What is the InChIKey of 5-ethenyl-6,6,14-trimethyl-11-(10-phenylanthracen-9-yl)-4-prop-1-enylpentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),4,8,11,15,17,19-nonaene?
The InChIKey is PZUUPFUTUUUBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H38/c1-6-17-38-41(7-2)48(4,5)42-27-26-37-40(28-39-29(3)31-20-11-12-21-32(31)45(39)47(37)46(38)42)44-35-24-15-13-22-33(35)43(30-18-9-8-10-19-30)34-23-14-16-25-36(34)44/h6-29H,2H2,1,3-5H3.
What are the key properties of 5-ethenyl-6,6,14-trimethyl-11-(10-phenylanthracen-9-yl)-4-prop-1-enylpentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),4,8,11,15,17,19-nonaene?
5-ethenyl-6,6,14-trimethyl-11-(10-phenylanthracen-9-yl)-4-prop-1-enylpentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),4,8,11,15,17,19-nonaene has a molecular weight of 614.83 g/mol, XLogP of 13.42, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-6,6,14-trimethyl-11-(10-phenylanthracen-9-yl)-4-prop-1-enylpentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),4,8,11,15,17,19-nonaene is sourced from PubChem (CID 91149785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).