(6Z,8E)-8-ethylidene-10-[(3-methylphenyl)methyl]tricyclo[7.4.0.02,4]trideca-1(13),6,9,11-tetraene;5-[(3-methylphenyl)methyl]-2,6,7,9-tetrahydro-1H-fluorene;7,7,9-trimethylbenzo[c]fluorene

C64H64 — CID 144614415

IUPAC(6Z,8E)-8-ethylidene-10-[(3-methylphenyl)methyl]tricyclo[7.4.0.02,4]trideca-1(13),6,9,11-tetraene;5-[(3-methylphenyl)methyl]-2,6,7,9-tetrahydro-1H-fluorene;7,7,9-trimethylbenzo[c]fluorene
SMILESC/C=C1\C=C/CC2CC2c2cccc(Cc3cccc(C)c3)c21.Cc1ccc2c(c1)C(C)(C)c1ccc3ccccc3c1-2.Cc1cccc(CC2=C3C(=CCC2)CC2=C3C=CCC2)c1
InChIInChI=1S/C23H24.C21H22.C20H18/c1-3-18-9-5-10-19-15-22(19)21-12-6-11-20(23(18)21)14-17-8-4-7-16(2)13-17;1-15-6-4-7-16(12-15)13-18-9-5-10-19-14-17-8-2-3-11-20(17)21(18)19;1-13-8-10-16-18(12-13)20(2,3)17-11-9-14-6-4-5-7-15(14)19(16)17/h3-9,11-13,19,22H,10,14-15H2,1-2H3;3-4,6-7,10-12H,2,5,8-9,13-14H2,1H3;4-12H,1-3H3/b9-5-,18-3+;;
InChIKeyNVYIAYXLQSNLDN-XRQCAIIBSA-N
MW833.22 g/mol
LogP17.11
Rot. Bonds4

About (6Z,8E)-8-ethylidene-10-[(3-methylphenyl)methyl]tricyclo[7.4.0.02,4]trideca-1(13),6,9,11-tetraene;5-[(3-methylphenyl)methyl]-2,6,7,9-tetrahydro-1H-fluorene;7,7,9-trimethylbenzo[c]fluorene

(6Z,8E)-8-ethylidene-10-[(3-methylphenyl)methyl]tricyclo[7.4.0.02,4]trideca-1(13),6,9,11-tetraene;5-[(3-methylphenyl)methyl]-2,6,7,9-tetrahydro-1H-fluorene;7,7,9-trimethylbenzo[c]fluorene (PubChem CID 144614415) has the molecular formula C64H64 and a molecular weight of 833.22 g/mol. Its IUPAC name is (6Z,8E)-8-ethylidene-10-[(3-methylphenyl)methyl]tricyclo[7.4.0.02,4]trideca-1(13),6,9,11-tetraene;5-[(3-methylphenyl)methyl]-2,6,7,9-tetrahydro-1H-fluorene;7,7,9-trimethylbenzo[c]fluorene.

Molecular Properties

Compound Name(6Z,8E)-8-ethylidene-10-[(3-methylphenyl)methyl]tricyclo[7.4.0.02,4]trideca-1(13),6,9,11-tetraene;5-[(3-methylphenyl)methyl]-2,6,7,9-tetrahydro-1H-fluorene;7,7,9-trimethylbenzo[c]fluorene
PubChem CID144614415
Molecular FormulaC64H64
Molecular Weight833.22 g/mol
Exact Mass832.50
IUPAC Name(6Z,8E)-8-ethylidene-10-[(3-methylphenyl)methyl]tricyclo[7.4.0.02,4]trideca-1(13),6,9,11-tetraene;5-[(3-methylphenyl)methyl]-2,6,7,9-tetrahydro-1H-fluorene;7,7,9-trimethylbenzo[c]fluorene
SMILESC/C=C1\C=C/CC2CC2c2cccc(Cc3cccc(C)c3)c21.Cc1ccc2c(c1)C(C)(C)c1ccc3ccccc3c1-2.Cc1cccc(CC2=C3C(=CCC2)CC2=C3C=CCC2)c1
InChIInChI=1S/C23H24.C21H22.C20H18/c1-3-18-9-5-10-19-15-22(19)21-12-6-11-20(23(18)21)14-17-8-4-7-16(2)13-17;1-15-6-4-7-16(12-15)13-18-9-5-10-19-14-17-8-2-3-11-20(17)21(18)19;1-13-8-10-16-18(12-13)20(2,3)17-11-9-14-6-4-5-7-15(14)19(16)17/h3-9,11-13,19,22H,10,14-15H2,1-2H3;3-4,6-7,10-12H,2,5,8-9,13-14H2,1H3;4-12H,1-3H3/b9-5-,18-3+;;
InChIKeyNVYIAYXLQSNLDN-XRQCAIIBSA-N
XLogP17.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500833.22
LogP ≤ 517.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (6Z,8E)-8-ethylidene-10-[(3-methylphenyl)methyl]tricyclo[7.4.0.02,4]trideca-1(13),6,9,11-tetraene;5-[(3-methylphenyl)methyl]-2,6,7,9-tetrahydro-1H-fluorene;7,7,9-trimethylbenzo[c]fluorene with MolForge

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Related Compounds

1-(naphthalen-1-ylmethyl)naphthalene;12,12,19,22,22-pentamethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene
CID 143607892
5-cyclohexa-1,5-dien-1-yl-7,7,9-trimethylbenzo[c]fluorene
CID 144663219
ethane;5-[[4-(2-ethenyl-3-methylcyclohexa-1,5-dien-1-yl)-3-methylphenyl]methyl]-7,7-dimethyl-9-[(3-methylphenyl)methyl]benzo[c]fluorene;2-methylnaphthalene;toluene
CID 144614426
N-(12,12-dimethyl-19-hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaenyl)-N-(2,4-dimethylphenyl)-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaen-19-amine
CID 153293480
5,5,19,19-tetramethylnonacyclo[18.16.0.02,18.04,16.06,15.09,14.023,36.024,33.025,30]hexatriaconta-1(20),2(18),3,6(15),7,9,11,13,16,21,23(36),24(33),25,27,29,31,34-heptadecaene
CID 58261583
7,7-dimethylbenzo[g]fluoren-9-amine
CID 90277897
11-(7,7-dimethylbenzo[g]fluoren-9-yl)-14,14-dimethylheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24,26,28-tetradecaene
CID 171742700
9-(9,10-dinaphthalen-2-ylanthracen-2-yl)-7,7-dimethylbenzo[c]fluorene
CID 58323017
12,12-dimethyl-9-(4-naphthalen-1-ylnaphthalen-1-yl)pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 58151571
5,7,7,9-tetramethylbenzo[c]fluorene
CID 59595492
ethane;(Z)-4-methoxy-4-methylpent-2-ene;5,5,18,21,21-pentamethyl-6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15(20),16,18-nonaene;7,7,9-trimethylbenzo[c]fluorene
CID 158418715
6-N-(2,4-dimethylphenyl)-18-N-(3,5-dimethylphenyl)-9,9,21,21-tetramethyl-6-N,18-N-diphenylhexacyclo[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-6,18-diamine;9,9,21,21-tetramethyl-6-N,18-N-bis(4-methylphenyl)-6-N,18-N-diphenylhexacyclo[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-6,18-diamine;9,9,21,21-tetramethyl-6-N,18-N-dinaphthalen-1-yl-6-N,18-N-diphenylhexacyclo[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-6,18-diamine;9,9,21,21-tetramethyl-6-N,18-N-dinaphthalen-2-yl-6-N,18-N-diphenylhexacyclo[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-6,18-diamine
CID 159750454

Frequently Asked Questions

What is the IUPAC name of (6Z,8E)-8-ethylidene-10-[(3-methylphenyl)methyl]tricyclo[7.4.0.02,4]trideca-1(13),6,9,11-tetraene;5-[(3-methylphenyl)methyl]-2,6,7,9-tetrahydro-1H-fluorene;7,7,9-trimethylbenzo[c]fluorene?
The IUPAC name of (6Z,8E)-8-ethylidene-10-[(3-methylphenyl)methyl]tricyclo[7.4.0.02,4]trideca-1(13),6,9,11-tetraene;5-[(3-methylphenyl)methyl]-2,6,7,9-tetrahydro-1H-fluorene;7,7,9-trimethylbenzo[c]fluorene (CID 144614415) is (6Z,8E)-8-ethylidene-10-[(3-methylphenyl)methyl]tricyclo[7.4.0.02,4]trideca-1(13),6,9,11-tetraene;5-[(3-methylphenyl)methyl]-2,6,7,9-tetrahydro-1H-fluorene;7,7,9-trimethylbenzo[c]fluorene.
What is the SMILES notation for (6Z,8E)-8-ethylidene-10-[(3-methylphenyl)methyl]tricyclo[7.4.0.02,4]trideca-1(13),6,9,11-tetraene;5-[(3-methylphenyl)methyl]-2,6,7,9-tetrahydro-1H-fluorene;7,7,9-trimethylbenzo[c]fluorene?
The canonical SMILES for (6Z,8E)-8-ethylidene-10-[(3-methylphenyl)methyl]tricyclo[7.4.0.02,4]trideca-1(13),6,9,11-tetraene;5-[(3-methylphenyl)methyl]-2,6,7,9-tetrahydro-1H-fluorene;7,7,9-trimethylbenzo[c]fluorene is C/C=C1\C=C/CC2CC2c2cccc(Cc3cccc(C)c3)c21.Cc1ccc2c(c1)C(C)(C)c1ccc3ccccc3c1-2.Cc1cccc(CC2=C3C(=CCC2)CC2=C3C=CCC2)c1.
What is the InChIKey of (6Z,8E)-8-ethylidene-10-[(3-methylphenyl)methyl]tricyclo[7.4.0.02,4]trideca-1(13),6,9,11-tetraene;5-[(3-methylphenyl)methyl]-2,6,7,9-tetrahydro-1H-fluorene;7,7,9-trimethylbenzo[c]fluorene?
The InChIKey is NVYIAYXLQSNLDN-XRQCAIIBSA-N. The full InChI is InChI=1S/C23H24.C21H22.C20H18/c1-3-18-9-5-10-19-15-22(19)21-12-6-11-20(23(18)21)14-17-8-4-7-16(2)13-17;1-15-6-4-7-16(12-15)13-18-9-5-10-19-14-17-8-2-3-11-20(17)21(18)19;1-13-8-10-16-18(12-13)20(2,3)17-11-9-14-6-4-5-7-15(14)19(16)17/h3-9,11-13,19,22H,10,14-15H2,1-2H3;3-4,6-7,10-12H,2,5,8-9,13-14H2,1H3;4-12H,1-3H3/b9-5-,18-3+;;.
What are the key properties of (6Z,8E)-8-ethylidene-10-[(3-methylphenyl)methyl]tricyclo[7.4.0.02,4]trideca-1(13),6,9,11-tetraene;5-[(3-methylphenyl)methyl]-2,6,7,9-tetrahydro-1H-fluorene;7,7,9-trimethylbenzo[c]fluorene?
(6Z,8E)-8-ethylidene-10-[(3-methylphenyl)methyl]tricyclo[7.4.0.02,4]trideca-1(13),6,9,11-tetraene;5-[(3-methylphenyl)methyl]-2,6,7,9-tetrahydro-1H-fluorene;7,7,9-trimethylbenzo[c]fluorene has a molecular weight of 833.22 g/mol, XLogP of 17.11, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z,8E)-8-ethylidene-10-[(3-methylphenyl)methyl]tricyclo[7.4.0.02,4]trideca-1(13),6,9,11-tetraene;5-[(3-methylphenyl)methyl]-2,6,7,9-tetrahydro-1H-fluorene;7,7,9-trimethylbenzo[c]fluorene is sourced from PubChem (CID 144614415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).