2,10-diphenyl-9-(3,9,9-trimethyl-4-prop-1-enylfluoren-2-yl)anthracene

C45H36 — CID 91536828

IUPAC2,10-diphenyl-9-(3,9,9-trimethyl-4-prop-1-enylfluoren-2-yl)anthracene
SMILESCC=Cc1c(C)c(-c2c3ccccc3c(-c3ccccc3)c3ccc(-c4ccccc4)cc23)cc2c1-c1ccccc1C2(C)C
InChIInChI=1S/C45H36/c1-5-16-33-29(2)38(28-41-44(33)37-23-14-15-24-40(37)45(41,3)4)43-35-22-13-12-21-34(35)42(31-19-10-7-11-20-31)36-26-25-32(27-39(36)43)30-17-8-6-9-18-30/h5-28H,1-4H3
InChIKeyFRILPVYHZWEWJJ-UHFFFAOYSA-N
MW576.78 g/mol
LogP12.64
Rot. Bonds4

About 2,10-diphenyl-9-(3,9,9-trimethyl-4-prop-1-enylfluoren-2-yl)anthracene

2,10-diphenyl-9-(3,9,9-trimethyl-4-prop-1-enylfluoren-2-yl)anthracene (PubChem CID 91536828) has the molecular formula C45H36 and a molecular weight of 576.78 g/mol. Its IUPAC name is 2,10-diphenyl-9-(3,9,9-trimethyl-4-prop-1-enylfluoren-2-yl)anthracene.

Molecular Properties

Compound Name2,10-diphenyl-9-(3,9,9-trimethyl-4-prop-1-enylfluoren-2-yl)anthracene
PubChem CID91536828
Molecular FormulaC45H36
Molecular Weight576.78 g/mol
Exact Mass576.28
IUPAC Name2,10-diphenyl-9-(3,9,9-trimethyl-4-prop-1-enylfluoren-2-yl)anthracene
SMILESCC=Cc1c(C)c(-c2c3ccccc3c(-c3ccccc3)c3ccc(-c4ccccc4)cc23)cc2c1-c1ccccc1C2(C)C
InChIInChI=1S/C45H36/c1-5-16-33-29(2)38(28-41-44(33)37-23-14-15-24-40(37)45(41,3)4)43-35-22-13-12-21-34(35)42(31-19-10-7-11-20-31)36-26-25-32(27-39(36)43)30-17-8-6-9-18-30/h5-28H,1-4H3
InChIKeyFRILPVYHZWEWJJ-UHFFFAOYSA-N
XLogP12.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.78
LogP ≤ 512.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

9-(9,9-dimethylfluoren-3-yl)-2,10-diphenylanthracene
CID 59195155
[4-[9-(7,7-dimethylbenzo[c]fluoren-5-yl)-10-phenylanthracen-2-yl]phenyl]-phenylmethanone
CID 89024086
9-(9,9-dimethylfluoren-4-yl)-2-methyl-10-(4-phenylphenyl)anthracene
CID 59196543
7,7-dimethyl-5-[2-naphthalen-1-yl-10-(3-phenylphenyl)anthracen-9-yl]benzo[c]fluorene
CID 91082381
7,7-dimethyl-5-(2-phenanthren-9-yl-10-phenylanthracen-9-yl)benzo[c]fluorene
CID 90769656
9-(9,9-dimethylfluoren-4-yl)-2-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene
CID 59196441
9-(9,9-dimethylfluoren-2-yl)-2-phenyl-10-[3-(4-phenylphenyl)phenyl]anthracene
CID 59194700
21,21-dimethyl-5-[4-(10-phenylanthracen-9-yl)phenyl]pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15,17,19-decaene
CID 157131299
6,6,12,12-tetramethyl-5-[10-(4-phenylphenyl)anthracen-9-yl]indeno[1,2-b]fluorene
CID 159679931
2-[9-(7,7-dimethylbenzo[c]fluoren-5-yl)-10-phenylanthracen-2-yl]-9,9-dimethyl-10-phenylacridine
CID 89024085
5-[10-(4-tert-butylphenyl)anthracen-9-yl]-7,7-dimethylbenzo[c]fluorene
CID 123566390
9,10-bis(9,9-dimethylfluoren-2-yl)-2-[4-(10-phenyl-1,4-dihydroanthracen-9-yl)phenyl]anthracene
CID 153275967

Frequently Asked Questions

What is the IUPAC name of 2,10-diphenyl-9-(3,9,9-trimethyl-4-prop-1-enylfluoren-2-yl)anthracene?
The IUPAC name of 2,10-diphenyl-9-(3,9,9-trimethyl-4-prop-1-enylfluoren-2-yl)anthracene (CID 91536828) is 2,10-diphenyl-9-(3,9,9-trimethyl-4-prop-1-enylfluoren-2-yl)anthracene.
What is the SMILES notation for 2,10-diphenyl-9-(3,9,9-trimethyl-4-prop-1-enylfluoren-2-yl)anthracene?
The canonical SMILES for 2,10-diphenyl-9-(3,9,9-trimethyl-4-prop-1-enylfluoren-2-yl)anthracene is CC=Cc1c(C)c(-c2c3ccccc3c(-c3ccccc3)c3ccc(-c4ccccc4)cc23)cc2c1-c1ccccc1C2(C)C.
What is the InChIKey of 2,10-diphenyl-9-(3,9,9-trimethyl-4-prop-1-enylfluoren-2-yl)anthracene?
The InChIKey is FRILPVYHZWEWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H36/c1-5-16-33-29(2)38(28-41-44(33)37-23-14-15-24-40(37)45(41,3)4)43-35-22-13-12-21-34(35)42(31-19-10-7-11-20-31)36-26-25-32(27-39(36)43)30-17-8-6-9-18-30/h5-28H,1-4H3.
What are the key properties of 2,10-diphenyl-9-(3,9,9-trimethyl-4-prop-1-enylfluoren-2-yl)anthracene?
2,10-diphenyl-9-(3,9,9-trimethyl-4-prop-1-enylfluoren-2-yl)anthracene has a molecular weight of 576.78 g/mol, XLogP of 12.64, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,10-diphenyl-9-(3,9,9-trimethyl-4-prop-1-enylfluoren-2-yl)anthracene is sourced from PubChem (CID 91536828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).