7,7-dimethyl-2-(10-phenylanthracen-9-yl)benzo[c]fluorene

C39H28 — CID 158971637

IUPAC7,7-dimethyl-2-(10-phenylanthracen-9-yl)benzo[c]fluorene
SMILESCC1(C)c2ccccc2-c2c1ccc1ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc21
InChIInChI=1S/C39H28/c1-39(2)34-19-11-10-18-32(34)38-33-24-27(21-20-25(33)22-23-35(38)39)37-30-16-8-6-14-28(30)36(26-12-4-3-5-13-26)29-15-7-9-17-31(29)37/h3-24H,1-2H3
InChIKeyRXJLZNDKVLFGAW-UHFFFAOYSA-N
MW496.65 g/mol
LogP10.79
Rot. Bonds2

About 7,7-dimethyl-2-(10-phenylanthracen-9-yl)benzo[c]fluorene

7,7-dimethyl-2-(10-phenylanthracen-9-yl)benzo[c]fluorene (PubChem CID 158971637) has the molecular formula C39H28 and a molecular weight of 496.65 g/mol. Its IUPAC name is 7,7-dimethyl-2-(10-phenylanthracen-9-yl)benzo[c]fluorene.

Molecular Properties

Compound Name7,7-dimethyl-2-(10-phenylanthracen-9-yl)benzo[c]fluorene
PubChem CID158971637
Molecular FormulaC39H28
Molecular Weight496.65 g/mol
Exact Mass496.22
IUPAC Name7,7-dimethyl-2-(10-phenylanthracen-9-yl)benzo[c]fluorene
SMILESCC1(C)c2ccccc2-c2c1ccc1ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc21
InChIInChI=1S/C39H28/c1-39(2)34-19-11-10-18-32(34)38-33-24-27(21-20-25(33)22-23-35(38)39)37-30-16-8-6-14-28(30)36(26-12-4-3-5-13-26)29-15-7-9-17-31(29)37/h3-24H,1-2H3
InChIKeyRXJLZNDKVLFGAW-UHFFFAOYSA-N
XLogP10.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.65
LogP ≤ 510.79
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

9,9,14,14-tetramethyl-6-(10-phenylanthracen-9-yl)pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 158811180
9,9,21,21-tetramethyl-6,18-bis(10-phenylanthracen-9-yl)hexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene
CID 59182575
7,7-dimethyl-10-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]benzo[c]fluorene;7,7-dimethyl-10-[4-(10-phenylanthracen-9-yl)phenyl]benzo[c]fluorene
CID 157086899
11,11-dimethyl-2-(10-phenylanthracen-9-yl)benzo[b]fluorene;7,7-dimethyl-5-(10-phenylanthracen-9-yl)benzo[c]fluorene;7,7-dimethyl-9-[4-(10-phenylanthracen-9-yl)phenyl]benzo[c]fluorene
CID 160671642
14,14-dimethyl-5-(10-phenylanthracen-9-yl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 170374658
9-(9,9-dimethylfluoren-3-yl)-2,10-diphenylanthracene
CID 59195155
9-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-10-phenylanthracene
CID 123170824
7,7-dimethyl-11-[4-(10-phenylanthracen-9-yl)phenyl]benzo[c]fluorene
CID 140725023
7,7-dimethyl-10-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]benzo[c]fluorene
CID 140724252
9,9,14,14-tetramethyl-5-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 140784213
10,10-dimethyl-6-(10-phenylanthracen-9-yl)pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene;10,10,12,12-tetramethyl-7-(10-phenylanthracen-9-yl)indeno[2,1-b]fluorene
CID 162244977
9-(9,9-dimethylfluoren-4-yl)-2-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene
CID 59196441

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-2-(10-phenylanthracen-9-yl)benzo[c]fluorene?
The IUPAC name of 7,7-dimethyl-2-(10-phenylanthracen-9-yl)benzo[c]fluorene (CID 158971637) is 7,7-dimethyl-2-(10-phenylanthracen-9-yl)benzo[c]fluorene.
What is the SMILES notation for 7,7-dimethyl-2-(10-phenylanthracen-9-yl)benzo[c]fluorene?
The canonical SMILES for 7,7-dimethyl-2-(10-phenylanthracen-9-yl)benzo[c]fluorene is CC1(C)c2ccccc2-c2c1ccc1ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc21.
What is the InChIKey of 7,7-dimethyl-2-(10-phenylanthracen-9-yl)benzo[c]fluorene?
The InChIKey is RXJLZNDKVLFGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H28/c1-39(2)34-19-11-10-18-32(34)38-33-24-27(21-20-25(33)22-23-35(38)39)37-30-16-8-6-14-28(30)36(26-12-4-3-5-13-26)29-15-7-9-17-31(29)37/h3-24H,1-2H3.
What are the key properties of 7,7-dimethyl-2-(10-phenylanthracen-9-yl)benzo[c]fluorene?
7,7-dimethyl-2-(10-phenylanthracen-9-yl)benzo[c]fluorene has a molecular weight of 496.65 g/mol, XLogP of 10.79, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-2-(10-phenylanthracen-9-yl)benzo[c]fluorene is sourced from PubChem (CID 158971637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).