7-(7,7-dimethyl-11,11a-dihydrobenzo[a]phenalen-4-yl)-4-phenylbenzo[a]anthracene

C43H32 — CID 171044967

IUPAC7-(7,7-dimethyl-11,11a-dihydrobenzo[a]phenalen-4-yl)-4-phenylbenzo[a]anthracene
SMILESCC1(C)C2=CC=CCC2c2cccc3c(-c4c5ccccc5cc5c4ccc4c(-c6ccccc6)cccc45)ccc1c23
InChIInChI=1S/C43H32/c1-43(2)39-21-9-8-16-33(39)34-19-11-20-35-36(24-25-40(43)42(34)35)41-30-15-7-6-14-28(30)26-38-31-18-10-17-29(27-12-4-3-5-13-27)32(31)22-23-37(38)41/h3-15,17-26,33H,16H2,1-2H3
InChIKeyUQQKQLXAPULFEC-UHFFFAOYSA-N
MW548.73 g/mol
LogP11.89
Rot. Bonds2

About 7-(7,7-dimethyl-11,11a-dihydrobenzo[a]phenalen-4-yl)-4-phenylbenzo[a]anthracene

7-(7,7-dimethyl-11,11a-dihydrobenzo[a]phenalen-4-yl)-4-phenylbenzo[a]anthracene (PubChem CID 171044967) has the molecular formula C43H32 and a molecular weight of 548.73 g/mol. Its IUPAC name is 7-(7,7-dimethyl-11,11a-dihydrobenzo[a]phenalen-4-yl)-4-phenylbenzo[a]anthracene.

Molecular Properties

Compound Name7-(7,7-dimethyl-11,11a-dihydrobenzo[a]phenalen-4-yl)-4-phenylbenzo[a]anthracene
PubChem CID171044967
Molecular FormulaC43H32
Molecular Weight548.73 g/mol
Exact Mass548.25
IUPAC Name7-(7,7-dimethyl-11,11a-dihydrobenzo[a]phenalen-4-yl)-4-phenylbenzo[a]anthracene
SMILESCC1(C)C2=CC=CCC2c2cccc3c(-c4c5ccccc5cc5c4ccc4c(-c6ccccc6)cccc45)ccc1c23
InChIInChI=1S/C43H32/c1-43(2)39-21-9-8-16-33(39)34-19-11-20-35-36(24-25-40(43)42(34)35)41-30-15-7-6-14-28(30)26-38-31-18-10-17-29(27-12-4-3-5-13-27)32(31)22-23-37(38)41/h3-15,17-26,33H,16H2,1-2H3
InChIKeyUQQKQLXAPULFEC-UHFFFAOYSA-N
XLogP11.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.73
LogP ≤ 511.89
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 7-(7,7-dimethyl-11,11a-dihydrobenzo[a]phenalen-4-yl)-4-phenylbenzo[a]anthracene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(10-methylanthracen-9-yl)-7-phenylbenzo[a]anthracene
CID 123622975
7-benzo[a]anthracen-4-yl-4-[4-(7-benzo[a]anthracen-4-ylbenzo[a]anthracen-4-yl)phenyl]benzo[a]anthracene
CID 59412613
7-phenanthren-9-yl-4-[4-(7-phenanthren-9-ylbenzo[a]anthracen-4-yl)phenyl]benzo[a]anthracene
CID 59412684
9-phenanthren-1-yl-10-(4-phenylnaphthalen-1-yl)anthracene
CID 58194514
7-ethyl-4-[10-(2-phenylphenyl)anthracen-9-yl]benzo[a]anthracene
CID 168838173
7-phenyl-4-(10-phenylanthracen-9-yl)benzo[a]anthracene;12,12,22,22-tetramethyl-9-N,9-N,19-N,19-N-tetraphenylhexacyclo[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-9,19-diamine
CID 162053768
7,7-dimethyl-8-[10-(2-phenylphenyl)anthracen-9-yl]benzo[c]fluorene
CID 140724953
9,9-dimethyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-N-(2-phenylphenyl)-4,4a-dihydrofluoren-2-amine
CID 156558959
7-(4-phenylbenzo[a]anthracen-7-yl)naphtho[1,2-b][1]benzofuran
CID 177072224
9-(9,9-dimethylfluoren-3-yl)-2-naphthalen-1-yl-10-(4-phenylnaphthalen-1-yl)anthracene
CID 59195419
9-phenanthren-9-yl-10-(4-phenylnaphthalen-1-yl)anthracene
CID 58895447
7-naphthalen-2-yl-4-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracene
CID 59412736

Frequently Asked Questions

What is the IUPAC name of 7-(7,7-dimethyl-11,11a-dihydrobenzo[a]phenalen-4-yl)-4-phenylbenzo[a]anthracene?
The IUPAC name of 7-(7,7-dimethyl-11,11a-dihydrobenzo[a]phenalen-4-yl)-4-phenylbenzo[a]anthracene (CID 171044967) is 7-(7,7-dimethyl-11,11a-dihydrobenzo[a]phenalen-4-yl)-4-phenylbenzo[a]anthracene.
What is the SMILES notation for 7-(7,7-dimethyl-11,11a-dihydrobenzo[a]phenalen-4-yl)-4-phenylbenzo[a]anthracene?
The canonical SMILES for 7-(7,7-dimethyl-11,11a-dihydrobenzo[a]phenalen-4-yl)-4-phenylbenzo[a]anthracene is CC1(C)C2=CC=CCC2c2cccc3c(-c4c5ccccc5cc5c4ccc4c(-c6ccccc6)cccc45)ccc1c23.
What is the InChIKey of 7-(7,7-dimethyl-11,11a-dihydrobenzo[a]phenalen-4-yl)-4-phenylbenzo[a]anthracene?
The InChIKey is UQQKQLXAPULFEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H32/c1-43(2)39-21-9-8-16-33(39)34-19-11-20-35-36(24-25-40(43)42(34)35)41-30-15-7-6-14-28(30)26-38-31-18-10-17-29(27-12-4-3-5-13-27)32(31)22-23-37(38)41/h3-15,17-26,33H,16H2,1-2H3.
What are the key properties of 7-(7,7-dimethyl-11,11a-dihydrobenzo[a]phenalen-4-yl)-4-phenylbenzo[a]anthracene?
7-(7,7-dimethyl-11,11a-dihydrobenzo[a]phenalen-4-yl)-4-phenylbenzo[a]anthracene has a molecular weight of 548.73 g/mol, XLogP of 11.89, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(7,7-dimethyl-11,11a-dihydrobenzo[a]phenalen-4-yl)-4-phenylbenzo[a]anthracene is sourced from PubChem (CID 171044967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).