9-[4-(8,9-dihydro-7H-benzo[7]annulen-1-yl)phenyl]-10-naphthalen-2-yl-4a,10-dihydroanthracene

C41H32 — CID 143168382

IUPAC9-[4-(8,9-dihydro-7H-benzo[7]annulen-1-yl)phenyl]-10-naphthalen-2-yl-4a,10-dihydroanthracene
SMILESC1=CC2=C(c3ccc(-c4cccc5c4CCCC=C5)cc3)c3ccccc3C(c3ccc4ccccc4c3)C2C=C1
InChIInChI=1S/C41H32/c1-2-12-29-14-10-20-35(34(29)15-3-1)30-22-24-31(25-23-30)40-36-16-6-8-18-38(36)41(39-19-9-7-17-37(39)40)33-26-21-28-11-4-5-13-32(28)27-33/h2,4-14,16-27,38,41H,1,3,15H2
InChIKeyZBBNOVUYSHJJDI-UHFFFAOYSA-N
MW524.71 g/mol
LogP10.55
Rot. Bonds3

About 9-[4-(8,9-dihydro-7H-benzo[7]annulen-1-yl)phenyl]-10-naphthalen-2-yl-4a,10-dihydroanthracene

9-[4-(8,9-dihydro-7H-benzo[7]annulen-1-yl)phenyl]-10-naphthalen-2-yl-4a,10-dihydroanthracene (PubChem CID 143168382) has the molecular formula C41H32 and a molecular weight of 524.71 g/mol. Its IUPAC name is 9-[4-(8,9-dihydro-7H-benzo[7]annulen-1-yl)phenyl]-10-naphthalen-2-yl-4a,10-dihydroanthracene.

Molecular Properties

Compound Name9-[4-(8,9-dihydro-7H-benzo[7]annulen-1-yl)phenyl]-10-naphthalen-2-yl-4a,10-dihydroanthracene
PubChem CID143168382
Molecular FormulaC41H32
Molecular Weight524.71 g/mol
Exact Mass524.25
IUPAC Name9-[4-(8,9-dihydro-7H-benzo[7]annulen-1-yl)phenyl]-10-naphthalen-2-yl-4a,10-dihydroanthracene
SMILESC1=CC2=C(c3ccc(-c4cccc5c4CCCC=C5)cc3)c3ccccc3C(c3ccc4ccccc4c3)C2C=C1
InChIInChI=1S/C41H32/c1-2-12-29-14-10-20-35(34(29)15-3-1)30-22-24-31(25-23-30)40-36-16-6-8-18-38(36)41(39-19-9-7-17-37(39)40)33-26-21-28-11-4-5-13-32(28)27-33/h2,4-14,16-27,38,41H,1,3,15H2
InChIKeyZBBNOVUYSHJJDI-UHFFFAOYSA-N
XLogP10.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.71
LogP ≤ 510.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

15-methyl-4-(10-naphthalen-2-yl-4a,10-dihydroanthracen-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,10,12(19),13(18),16-heptaene
CID 145280857
2-[10-(2-phenylphenyl)-8a,9-dihydroanthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 174292735
1-(4-methylphenyl)-8,9-dihydro-7H-benzo[7]annulene
CID 142467465
8-(9,10-dinaphthalen-2-yl-10,10a-dihydroanthracen-2-yl)-5-phenylpyrido[4,3-b]indole
CID 146427818
5-(10-dibenzofuran-1-yl-8a,9-dihydroanthracen-9-yl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 174288377
N-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]-N-methyl-3-[10-(3-methylphenyl)-8a,9-dihydroanthracen-9-yl]aniline
CID 129282050
5-[3-(10-naphthalen-2-yl-8a,9-dihydroanthracen-9-yl)-5-phenylphenyl]-1-phenyl-2-[(Z)-prop-1-enyl]indol-3-amine
CID 137466977
5-chrysen-6-yl-2-(10-phenyl-8a,9-dihydroanthracen-9-yl)pyridine
CID 88943692
7-[10-(2-phenylphenyl)-4a,10-dihydroanthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 167515975
9-[4-(7,8-dihydronaphthalen-1-yl)-3-phenylphenyl]-10-naphthalen-2-ylanthracene
CID 143300944
2-(7,8-dihydronaphthalen-1-yl)-8-(3-phenylnaphthalen-2-yl)dibenzofuran
CID 70972681
9-(2,6-difluorophenyl)-10-[7-[10-(2,6-difluorophenyl)-8a,9-dihydroanthracen-9-yl]-9H-fluoren-4-yl]anthracene
CID 168784180

Frequently Asked Questions

What is the IUPAC name of 9-[4-(8,9-dihydro-7H-benzo[7]annulen-1-yl)phenyl]-10-naphthalen-2-yl-4a,10-dihydroanthracene?
The IUPAC name of 9-[4-(8,9-dihydro-7H-benzo[7]annulen-1-yl)phenyl]-10-naphthalen-2-yl-4a,10-dihydroanthracene (CID 143168382) is 9-[4-(8,9-dihydro-7H-benzo[7]annulen-1-yl)phenyl]-10-naphthalen-2-yl-4a,10-dihydroanthracene.
What is the SMILES notation for 9-[4-(8,9-dihydro-7H-benzo[7]annulen-1-yl)phenyl]-10-naphthalen-2-yl-4a,10-dihydroanthracene?
The canonical SMILES for 9-[4-(8,9-dihydro-7H-benzo[7]annulen-1-yl)phenyl]-10-naphthalen-2-yl-4a,10-dihydroanthracene is C1=CC2=C(c3ccc(-c4cccc5c4CCCC=C5)cc3)c3ccccc3C(c3ccc4ccccc4c3)C2C=C1.
What is the InChIKey of 9-[4-(8,9-dihydro-7H-benzo[7]annulen-1-yl)phenyl]-10-naphthalen-2-yl-4a,10-dihydroanthracene?
The InChIKey is ZBBNOVUYSHJJDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H32/c1-2-12-29-14-10-20-35(34(29)15-3-1)30-22-24-31(25-23-30)40-36-16-6-8-18-38(36)41(39-19-9-7-17-37(39)40)33-26-21-28-11-4-5-13-32(28)27-33/h2,4-14,16-27,38,41H,1,3,15H2.
What are the key properties of 9-[4-(8,9-dihydro-7H-benzo[7]annulen-1-yl)phenyl]-10-naphthalen-2-yl-4a,10-dihydroanthracene?
9-[4-(8,9-dihydro-7H-benzo[7]annulen-1-yl)phenyl]-10-naphthalen-2-yl-4a,10-dihydroanthracene has a molecular weight of 524.71 g/mol, XLogP of 10.55, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(8,9-dihydro-7H-benzo[7]annulen-1-yl)phenyl]-10-naphthalen-2-yl-4a,10-dihydroanthracene is sourced from PubChem (CID 143168382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).