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

C47H30 — CID 167412748

IUPAC4-(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
SMILESCC1(C)c2cc(-c3cc4ccc5cccc6c7cccc8ccc9cccc(c(c3)c4c56)c9c87)ccc2-c2c1ccc1ccccc21
InChIInChI=1S/C47H30/c1-47(2)40-23-21-27-8-3-4-12-34(27)46(40)38-22-20-31(26-41(38)47)33-24-32-19-18-30-10-6-14-36-35-13-5-9-28-16-17-29-11-7-15-37(44(29)42(28)35)39(25-33)45(32)43(30)36/h3-26H,1-2H3/b36-35-,39-37-
InChIKeyDZTYLYVLYZGNKV-ARDZJSJPSA-N
MW594.76 g/mol
LogP13.17
Rot. Bonds1

About 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

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 (PubChem CID 167412748) has the molecular formula C47H30 and a molecular weight of 594.76 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-(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
PubChem CID167412748
Molecular FormulaC47H30
Molecular Weight594.76 g/mol
Exact Mass594.23
IUPAC Name4-(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
SMILESCC1(C)c2cc(-c3cc4ccc5cccc6c7cccc8ccc9cccc(c(c3)c4c56)c9c87)ccc2-c2c1ccc1ccccc21
InChIInChI=1S/C47H30/c1-47(2)40-23-21-27-8-3-4-12-34(27)46(40)38-22-20-31(26-41(38)47)33-24-32-19-18-30-10-6-14-36-35-13-5-9-28-16-17-29-11-7-15-37(44(29)42(28)35)39(25-33)45(32)43(30)36/h3-26H,1-2H3/b36-35-,39-37-
InChIKeyDZTYLYVLYZGNKV-ARDZJSJPSA-N
XLogP13.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.76
LogP ≤ 513.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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
9-[10-(11,11-dimethylbenzo[a]fluoren-9-yl)-2-naphthalen-2-ylanthracen-9-yl]-11,11-dimethylbenzo[a]fluorene;2-[10-(11,11-dimethylbenzo[b]fluoren-2-yl)-2-naphthalen-2-ylanthracen-9-yl]-11,11-dimethylbenzo[b]fluorene;9-[10-(7,7-dimethylbenzo[g]fluoren-9-yl)-2-naphthalen-2-ylanthracen-9-yl]-7,7-dimethylbenzo[c]fluorene;9-(9,10-dinaphthalen-2-ylanthracen-2-yl)-11,11-dimethylbenzo[a]fluorene
CID 158851609
N-[4-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]phenyl]-N,4-diphenylaniline
CID 130250677
6-(11,11-dimethylbenzo[a]fluoren-8-yl)-9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaene
CID 142362875
7,7-dimethylbenzo[g]fluoren-9-amine
CID 90277897
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
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
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
2-[3-[3-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]phenyl]-4-[3-[9,9-dimethyl-7-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]fluoren-2-yl]phenyl]-6-phenyl-1,3,5-triazine
CID 167056770
4-[4-[3-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 167344604

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2cc(-c3cc4ccc5cccc6c7cccc8ccc9cccc(c(c3)c4c56)c9c87)ccc2-c2c1ccc1ccccc21.
What is the InChIKey of 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?
The InChIKey is DZTYLYVLYZGNKV-ARDZJSJPSA-N. The full InChI is InChI=1S/C47H30/c1-47(2)40-23-21-27-8-3-4-12-34(27)46(40)38-22-20-31(26-41(38)47)33-24-32-19-18-30-10-6-14-36-35-13-5-9-28-16-17-29-11-7-15-37(44(29)42(28)35)39(25-33)45(32)43(30)36/h3-26H,1-2H3/b36-35-,39-37-.
What are the key properties of 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?
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 has a molecular weight of 594.76 g/mol, XLogP of 13.17, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167412748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).