8-(7,7-dimethylbenzo[g]fluoren-9-yl)heptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6(11),7,9,15,18,20,22,24,26,28-tetradecaene

C48H32 — CID 154600307

IUPAC8-(7,7-dimethylbenzo[g]fluoren-9-yl)heptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6(11),7,9,15,18,20,22,24,26,28-tetradecaene
SMILESCC1(C)c2cc(-c3ccc4c5c(ccc4c3)-c3c(ccc4c6ccccc6c6ccccc6c34)C5)ccc2-c2c1ccc1ccccc21
InChIInChI=1S/C48H32/c1-48(2)43-24-19-28-9-3-4-10-34(28)46(43)41-23-16-30(27-44(41)48)29-15-20-33-31(25-29)17-21-40-42(33)26-32-18-22-39-37-13-6-5-11-35(37)36-12-7-8-14-38(36)47(39)45(32)40/h3-25,27H,26H2,1-2H3
InChIKeyVOLQOLFTKXUILX-UHFFFAOYSA-N
MW608.78 g/mol
LogP13.00
Rot. Bonds1

About 8-(7,7-dimethylbenzo[g]fluoren-9-yl)heptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6(11),7,9,15,18,20,22,24,26,28-tetradecaene

8-(7,7-dimethylbenzo[g]fluoren-9-yl)heptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6(11),7,9,15,18,20,22,24,26,28-tetradecaene (PubChem CID 154600307) has the molecular formula C48H32 and a molecular weight of 608.78 g/mol. Its IUPAC name is 8-(7,7-dimethylbenzo[g]fluoren-9-yl)heptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6(11),7,9,15,18,20,22,24,26,28-tetradecaene.

Molecular Properties

Compound Name8-(7,7-dimethylbenzo[g]fluoren-9-yl)heptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6(11),7,9,15,18,20,22,24,26,28-tetradecaene
PubChem CID154600307
Molecular FormulaC48H32
Molecular Weight608.78 g/mol
Exact Mass608.25
IUPAC Name8-(7,7-dimethylbenzo[g]fluoren-9-yl)heptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6(11),7,9,15,18,20,22,24,26,28-tetradecaene
SMILESCC1(C)c2cc(-c3ccc4c5c(ccc4c3)-c3c(ccc4c6ccccc6c6ccccc6c34)C5)ccc2-c2c1ccc1ccccc21
InChIInChI=1S/C48H32/c1-48(2)43-24-19-28-9-3-4-10-34(28)46(43)41-23-16-30(27-44(41)48)29-15-20-33-31(25-29)17-21-40-42(33)26-32-18-22-39-37-13-6-5-11-35(37)36-12-7-8-14-38(36)47(39)45(32)40/h3-25,27H,26H2,1-2H3
InChIKeyVOLQOLFTKXUILX-UHFFFAOYSA-N
XLogP13.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.78
LogP ≤ 513.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 8-(7,7-dimethylbenzo[g]fluoren-9-yl)heptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6(11),7,9,15,18,20,22,24,26,28-tetradecaene with MolForge

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Related Compounds

4-(7,7-dimethylbenzo[g]fluoren-9-yl)heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaene
CID 167412748
8-(7,7-dimethylbenzo[g]fluoren-9-yl)heptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6(11),7,9,15,18,20,22,24,26,28-tetradecaene;9-(3-naphthalen-2-ylphenyl)-14-oxaheptacyclo[15.12.0.03,15.04,13.07,12.018,23.024,29]nonacosa-1,3(15),4(13),5,7(12),8,10,16,18,20,22,24,26,28-tetradecaene;3-oxaheptacyclo[15.12.0.02,14.04,13.05,10.018,23.024,29]nonacosa-1(17),2(14),4(13),5,7,9,11,15,18,20,22,24,26,28-tetradecaene;7-(6-phenylnaphthalen-2-yl)-13-oxaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4(9),5,7,10,15,18,20,22,24,26,28-tetradecaene;9-(4-phenylnaphthalen-1-yl)-3-oxaheptacyclo[15.12.0.02,14.04,13.07,12.018,23.024,29]nonacosa-1(17),2(14),4(13),5,7(12),8,10,15,18,20,22,24,26,28-tetradecaene;8-phenyl-14-oxaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5(10),6,8,11,16,18,20,22,24,26,28-tetradecaene
CID 158160629
9-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-7,7-dimethylbenzo[c]fluorene
CID 58151561
9-(9,10-dinaphthalen-2-ylanthracen-2-yl)-7,7-dimethylbenzo[c]fluorene
CID 58323017
3-(9,9-dimethyl-7-phenanthren-2-ylfluoren-2-yl)chrysene
CID 123538339
2-(7,7-dimethylbenzo[g]fluoren-9-yl)-4,6-diphenyl-1,3,5-triazine
CID 130355546
N-[4-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]phenyl]-N,4-diphenylaniline
CID 130250677
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
2-(7-benzo[c]phenanthren-2-yl-9,9-dimethylfluoren-2-yl)benzo[c]phenanthrene
CID 123543063
2-[3-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 129150871
9-[6-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)naphthalen-2-yl]pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene
CID 58569125
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

Frequently Asked Questions

What is the IUPAC name of 8-(7,7-dimethylbenzo[g]fluoren-9-yl)heptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6(11),7,9,15,18,20,22,24,26,28-tetradecaene?
The IUPAC name of 8-(7,7-dimethylbenzo[g]fluoren-9-yl)heptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6(11),7,9,15,18,20,22,24,26,28-tetradecaene (CID 154600307) is 8-(7,7-dimethylbenzo[g]fluoren-9-yl)heptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6(11),7,9,15,18,20,22,24,26,28-tetradecaene.
What is the SMILES notation for 8-(7,7-dimethylbenzo[g]fluoren-9-yl)heptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6(11),7,9,15,18,20,22,24,26,28-tetradecaene?
The canonical SMILES for 8-(7,7-dimethylbenzo[g]fluoren-9-yl)heptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6(11),7,9,15,18,20,22,24,26,28-tetradecaene is CC1(C)c2cc(-c3ccc4c5c(ccc4c3)-c3c(ccc4c6ccccc6c6ccccc6c34)C5)ccc2-c2c1ccc1ccccc21.
What is the InChIKey of 8-(7,7-dimethylbenzo[g]fluoren-9-yl)heptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6(11),7,9,15,18,20,22,24,26,28-tetradecaene?
The InChIKey is VOLQOLFTKXUILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32/c1-48(2)43-24-19-28-9-3-4-10-34(28)46(43)41-23-16-30(27-44(41)48)29-15-20-33-31(25-29)17-21-40-42(33)26-32-18-22-39-37-13-6-5-11-35(37)36-12-7-8-14-38(36)47(39)45(32)40/h3-25,27H,26H2,1-2H3.
What are the key properties of 8-(7,7-dimethylbenzo[g]fluoren-9-yl)heptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6(11),7,9,15,18,20,22,24,26,28-tetradecaene?
8-(7,7-dimethylbenzo[g]fluoren-9-yl)heptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6(11),7,9,15,18,20,22,24,26,28-tetradecaene has a molecular weight of 608.78 g/mol, XLogP of 13.00, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(7,7-dimethylbenzo[g]fluoren-9-yl)heptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6(11),7,9,15,18,20,22,24,26,28-tetradecaene is sourced from PubChem (CID 154600307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).