11,11-dimethyl-8-(10-phenanthren-3-ylanthracen-9-yl)benzo[a]fluorene;7,7-dimethyl-10-(10-phenanthren-3-ylanthracen-9-yl)benzo[c]fluorene

C94H64 — CID 158385348

IUPAC11,11-dimethyl-8-(10-phenanthren-3-ylanthracen-9-yl)benzo[a]fluorene;7,7-dimethyl-10-(10-phenanthren-3-ylanthracen-9-yl)benzo[c]fluorene
SMILESCC1(C)c2ccc(-c3c4ccccc4c(-c4ccc5ccc6ccccc6c5c4)c4ccccc34)cc2-c2c1ccc1ccccc21.CC1(C)c2ccc(-c3c4ccccc4c(-c4ccc5ccc6ccccc6c5c4)c4ccccc34)cc2-c2ccc3ccccc3c21
InChIInChI=1S/2C47H32/c1-47(2)42-25-24-33(28-41(42)46-35-14-6-4-12-30(35)23-26-43(46)47)45-38-17-9-7-15-36(38)44(37-16-8-10-18-39(37)45)32-22-21-31-20-19-29-11-3-5-13-34(29)40(31)27-32;1-47(2)43-26-24-33(28-42(43)40-25-23-30-12-4-6-14-35(30)46(40)47)45-38-17-9-7-15-36(38)44(37-16-8-10-18-39(37)45)32-22-21-31-20-19-29-11-3-5-13-34(29)41(31)27-32/h2*3-28H,1-2H3
InChIKeyGWHKOTSOGONTNG-UHFFFAOYSA-N
MW1193.55 g/mol
LogP26.19
Rot. Bonds4

About 11,11-dimethyl-8-(10-phenanthren-3-ylanthracen-9-yl)benzo[a]fluorene;7,7-dimethyl-10-(10-phenanthren-3-ylanthracen-9-yl)benzo[c]fluorene

11,11-dimethyl-8-(10-phenanthren-3-ylanthracen-9-yl)benzo[a]fluorene;7,7-dimethyl-10-(10-phenanthren-3-ylanthracen-9-yl)benzo[c]fluorene (PubChem CID 158385348) has the molecular formula C94H64 and a molecular weight of 1193.55 g/mol. Its IUPAC name is 11,11-dimethyl-8-(10-phenanthren-3-ylanthracen-9-yl)benzo[a]fluorene;7,7-dimethyl-10-(10-phenanthren-3-ylanthracen-9-yl)benzo[c]fluorene.

Molecular Properties

Compound Name11,11-dimethyl-8-(10-phenanthren-3-ylanthracen-9-yl)benzo[a]fluorene;7,7-dimethyl-10-(10-phenanthren-3-ylanthracen-9-yl)benzo[c]fluorene
PubChem CID158385348
Molecular FormulaC94H64
Molecular Weight1193.55 g/mol
Exact Mass1192.50
IUPAC Name11,11-dimethyl-8-(10-phenanthren-3-ylanthracen-9-yl)benzo[a]fluorene;7,7-dimethyl-10-(10-phenanthren-3-ylanthracen-9-yl)benzo[c]fluorene
SMILESCC1(C)c2ccc(-c3c4ccccc4c(-c4ccc5ccc6ccccc6c5c4)c4ccccc34)cc2-c2c1ccc1ccccc21.CC1(C)c2ccc(-c3c4ccccc4c(-c4ccc5ccc6ccccc6c5c4)c4ccccc34)cc2-c2ccc3ccccc3c21
InChIInChI=1S/2C47H32/c1-47(2)42-25-24-33(28-41(42)46-35-14-6-4-12-30(35)23-26-43(46)47)45-38-17-9-7-15-36(38)44(37-16-8-10-18-39(37)45)32-22-21-31-20-19-29-11-3-5-13-34(29)40(31)27-32;1-47(2)43-26-24-33(28-42(43)40-25-23-30-12-4-6-14-35(30)46(40)47)45-38-17-9-7-15-36(38)44(37-16-8-10-18-39(37)45)32-22-21-31-20-19-29-11-3-5-13-34(29)41(31)27-32/h2*3-28H,1-2H3
InChIKeyGWHKOTSOGONTNG-UHFFFAOYSA-N
XLogP26.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms94
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001193.55
LogP ≤ 526.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 11,11-dimethyl-8-(10-phenanthren-3-ylanthracen-9-yl)benzo[a]fluorene;7,7-dimethyl-10-(10-phenanthren-3-ylanthracen-9-yl)benzo[c]fluorene with MolForge

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Related Compounds

11,11-dimethyl-9-(10-phenanthren-3-ylanthracen-9-yl)benzo[a]fluorene
CID 58194555
8-[9,10-bis(9,9-dimethylfluoren-2-yl)anthracen-2-yl]-11,11-dimethylbenzo[a]fluorene
CID 140724296
21,21-dimethyl-17-(10-phenanthren-3-ylanthracen-9-yl)pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
CID 140724763
11,11-dimethyl-8-[10-(2-phenylphenyl)anthracen-9-yl]benzo[a]fluorene;11,11-dimethyl-9-[10-(2-phenylphenyl)anthracen-9-yl]benzo[a]fluorene;11,11-dimethyl-2-[10-(2-phenylphenyl)anthracen-9-yl]benzo[b]fluorene;11,11-dimethyl-3-[10-(2-phenylphenyl)anthracen-9-yl]benzo[b]fluorene;7,7-dimethyl-9-[10-(2-phenylphenyl)anthracen-9-yl]benzo[c]fluorene;7,7-dimethyl-10-[10-(2-phenylphenyl)anthracen-9-yl]benzo[c]fluorene;methane
CID 163496973
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
7,7-dimethyl-10-[3-[10-(3-phenanthren-9-ylphenyl)anthracen-9-yl]phenyl]benzo[c]fluorene
CID 140724765
11,11-dimethyl-9-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]benzo[a]fluorene;11,11-dimethyl-2-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]benzo[b]fluorene;11,11-dimethyl-3-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]benzo[b]fluorene;7,7-dimethyl-9-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]benzo[c]fluorene;7,7-dimethyl-10-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]benzo[c]fluorene;11,11-dimethyl-8-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]benzo[a]fluorene;11,11-dimethyl-9-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]benzo[a]fluorene
CID 158512021
7,7-dimethyl-10-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]benzo[c]fluorene
CID 140724252
11,11-dimethyl-8-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]benzo[a]fluorene;11,11-dimethyl-9-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]benzo[a]fluorene
CID 163751276
21,21-dimethyl-17-[4-(10-phenanthren-3-ylanthracen-9-yl)phenyl]pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
CID 140724532
7,7-dimethyl-10-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]benzo[c]fluorene
CID 162108873
4-[10-[3-(11,11-dimethylbenzo[a]fluoren-8-yl)phenyl]anthracen-9-yl]benzo[a]anthracene
CID 140724450

Frequently Asked Questions

What is the IUPAC name of 11,11-dimethyl-8-(10-phenanthren-3-ylanthracen-9-yl)benzo[a]fluorene;7,7-dimethyl-10-(10-phenanthren-3-ylanthracen-9-yl)benzo[c]fluorene?
The IUPAC name of 11,11-dimethyl-8-(10-phenanthren-3-ylanthracen-9-yl)benzo[a]fluorene;7,7-dimethyl-10-(10-phenanthren-3-ylanthracen-9-yl)benzo[c]fluorene (CID 158385348) is 11,11-dimethyl-8-(10-phenanthren-3-ylanthracen-9-yl)benzo[a]fluorene;7,7-dimethyl-10-(10-phenanthren-3-ylanthracen-9-yl)benzo[c]fluorene.
What is the SMILES notation for 11,11-dimethyl-8-(10-phenanthren-3-ylanthracen-9-yl)benzo[a]fluorene;7,7-dimethyl-10-(10-phenanthren-3-ylanthracen-9-yl)benzo[c]fluorene?
The canonical SMILES for 11,11-dimethyl-8-(10-phenanthren-3-ylanthracen-9-yl)benzo[a]fluorene;7,7-dimethyl-10-(10-phenanthren-3-ylanthracen-9-yl)benzo[c]fluorene is CC1(C)c2ccc(-c3c4ccccc4c(-c4ccc5ccc6ccccc6c5c4)c4ccccc34)cc2-c2c1ccc1ccccc21.CC1(C)c2ccc(-c3c4ccccc4c(-c4ccc5ccc6ccccc6c5c4)c4ccccc34)cc2-c2ccc3ccccc3c21.
What is the InChIKey of 11,11-dimethyl-8-(10-phenanthren-3-ylanthracen-9-yl)benzo[a]fluorene;7,7-dimethyl-10-(10-phenanthren-3-ylanthracen-9-yl)benzo[c]fluorene?
The InChIKey is GWHKOTSOGONTNG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C47H32/c1-47(2)42-25-24-33(28-41(42)46-35-14-6-4-12-30(35)23-26-43(46)47)45-38-17-9-7-15-36(38)44(37-16-8-10-18-39(37)45)32-22-21-31-20-19-29-11-3-5-13-34(29)40(31)27-32;1-47(2)43-26-24-33(28-42(43)40-25-23-30-12-4-6-14-35(30)46(40)47)45-38-17-9-7-15-36(38)44(37-16-8-10-18-39(37)45)32-22-21-31-20-19-29-11-3-5-13-34(29)41(31)27-32/h2*3-28H,1-2H3.
What are the key properties of 11,11-dimethyl-8-(10-phenanthren-3-ylanthracen-9-yl)benzo[a]fluorene;7,7-dimethyl-10-(10-phenanthren-3-ylanthracen-9-yl)benzo[c]fluorene?
11,11-dimethyl-8-(10-phenanthren-3-ylanthracen-9-yl)benzo[a]fluorene;7,7-dimethyl-10-(10-phenanthren-3-ylanthracen-9-yl)benzo[c]fluorene has a molecular weight of 1193.55 g/mol, XLogP of 26.19, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 11,11-dimethyl-8-(10-phenanthren-3-ylanthracen-9-yl)benzo[a]fluorene;7,7-dimethyl-10-(10-phenanthren-3-ylanthracen-9-yl)benzo[c]fluorene is sourced from PubChem (CID 158385348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).