2-[10-(11,11-dimethylbenzo[a]fluoren-5-yl)anthracen-9-yl]dibenzofuran

C45H30O — CID 164758476

IUPAC2-[10-(11,11-dimethylbenzo[a]fluoren-5-yl)anthracen-9-yl]dibenzofuran
SMILESCC1(C)c2ccccc2-c2cc(-c3c4ccccc4c(-c4ccc5oc6ccccc6c5c4)c4ccccc34)c3ccccc3c21
InChIInChI=1S/C45H30O/c1-45(2)39-21-11-9-14-29(39)38-26-37(28-13-3-8-20-35(28)44(38)45)43-33-18-6-4-16-31(33)42(32-17-5-7-19-34(32)43)27-23-24-41-36(25-27)30-15-10-12-22-40(30)46-41/h3-26H,1-2H3
InChIKeyJCEOAHYZSJXMQV-UHFFFAOYSA-N
MW586.73 g/mol
LogP12.69
Rot. Bonds2

About 2-[10-(11,11-dimethylbenzo[a]fluoren-5-yl)anthracen-9-yl]dibenzofuran

2-[10-(11,11-dimethylbenzo[a]fluoren-5-yl)anthracen-9-yl]dibenzofuran (PubChem CID 164758476) has the molecular formula C45H30O and a molecular weight of 586.73 g/mol. Its IUPAC name is 2-[10-(11,11-dimethylbenzo[a]fluoren-5-yl)anthracen-9-yl]dibenzofuran.

Molecular Properties

Compound Name2-[10-(11,11-dimethylbenzo[a]fluoren-5-yl)anthracen-9-yl]dibenzofuran
PubChem CID164758476
Molecular FormulaC45H30O
Molecular Weight586.73 g/mol
Exact Mass586.23
IUPAC Name2-[10-(11,11-dimethylbenzo[a]fluoren-5-yl)anthracen-9-yl]dibenzofuran
SMILESCC1(C)c2ccccc2-c2cc(-c3c4ccccc4c(-c4ccc5oc6ccccc6c5c4)c4ccccc34)c3ccccc3c21
InChIInChI=1S/C45H30O/c1-45(2)39-21-11-9-14-29(39)38-26-37(28-13-3-8-20-35(28)44(38)45)43-33-18-6-4-16-31(33)42(32-17-5-7-19-34(32)43)27-23-24-41-36(25-27)30-15-10-12-22-40(30)46-41/h3-26H,1-2H3
InChIKeyJCEOAHYZSJXMQV-UHFFFAOYSA-N
XLogP12.69
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.73
LogP ≤ 512.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[10-(11,11-dimethylbenzo[a]fluoren-5-yl)anthracen-9-yl]dibenzofuran
CID 122426638
6-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 122427406
2-[2-[10-(21,21-dimethyl-17-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 121421422
2-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]dibenzofuran
CID 59194951
12-(10-dibenzothiophen-3-ylanthracen-9-yl)-3,3-dimethyl-22-oxahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1,4,6,8,10,12,14,16,18,20,23-undecaene
CID 130213296
15-(10-dibenzofuran-2-ylanthracen-9-yl)-23,23-dimethyl-12-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene
CID 130189604
2-[10-(11,11-dimethylbenzo[a]fluoren-9-yl)anthracen-9-yl]dibenzofuran
CID 122425764
2-[3-[10-[4-(21,21-dimethyl-16-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaenyl)phenyl]anthracen-9-yl]phenyl]dibenzofuran
CID 121421517
2-[10-(9,9-dimethylfluoren-4-yl)-3-phenylanthracen-9-yl]dibenzofuran
CID 59195200
7-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)anthracen-9-yl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene
CID 134487829
2-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]dibenzofuran
CID 59195828
2-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]dibenzofuran
CID 59196306

Frequently Asked Questions

What is the IUPAC name of 2-[10-(11,11-dimethylbenzo[a]fluoren-5-yl)anthracen-9-yl]dibenzofuran?
The IUPAC name of 2-[10-(11,11-dimethylbenzo[a]fluoren-5-yl)anthracen-9-yl]dibenzofuran (CID 164758476) is 2-[10-(11,11-dimethylbenzo[a]fluoren-5-yl)anthracen-9-yl]dibenzofuran.
What is the SMILES notation for 2-[10-(11,11-dimethylbenzo[a]fluoren-5-yl)anthracen-9-yl]dibenzofuran?
The canonical SMILES for 2-[10-(11,11-dimethylbenzo[a]fluoren-5-yl)anthracen-9-yl]dibenzofuran is CC1(C)c2ccccc2-c2cc(-c3c4ccccc4c(-c4ccc5oc6ccccc6c5c4)c4ccccc34)c3ccccc3c21.
What is the InChIKey of 2-[10-(11,11-dimethylbenzo[a]fluoren-5-yl)anthracen-9-yl]dibenzofuran?
The InChIKey is JCEOAHYZSJXMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H30O/c1-45(2)39-21-11-9-14-29(39)38-26-37(28-13-3-8-20-35(28)44(38)45)43-33-18-6-4-16-31(33)42(32-17-5-7-19-34(32)43)27-23-24-41-36(25-27)30-15-10-12-22-40(30)46-41/h3-26H,1-2H3.
What are the key properties of 2-[10-(11,11-dimethylbenzo[a]fluoren-5-yl)anthracen-9-yl]dibenzofuran?
2-[10-(11,11-dimethylbenzo[a]fluoren-5-yl)anthracen-9-yl]dibenzofuran has a molecular weight of 586.73 g/mol, XLogP of 12.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[10-(11,11-dimethylbenzo[a]fluoren-5-yl)anthracen-9-yl]dibenzofuran is sourced from PubChem (CID 164758476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).