1-[3-(9,9-dimethylfluoren-2-yl)-2-methylphenyl]-10-propylphenanthrene

C39H34 — CID 144681180

IUPAC1-[3-(9,9-dimethylfluoren-2-yl)-2-methylphenyl]-10-propylphenanthrene
SMILESCCCc1cc2ccccc2c2cccc(-c3cccc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c3C)c12
InChIInChI=1S/C39H34/c1-5-12-28-23-26-13-6-7-14-31(26)35-19-11-18-34(38(28)35)30-17-10-16-29(25(30)2)27-21-22-33-32-15-8-9-20-36(32)39(3,4)37(33)24-27/h6-11,13-24H,5,12H2,1-4H3
InChIKeyDYPKAEBTVXPJSC-UHFFFAOYSA-N
MW502.70 g/mol
LogP10.89
Rot. Bonds4

About 1-[3-(9,9-dimethylfluoren-2-yl)-2-methylphenyl]-10-propylphenanthrene

1-[3-(9,9-dimethylfluoren-2-yl)-2-methylphenyl]-10-propylphenanthrene (PubChem CID 144681180) has the molecular formula C39H34 and a molecular weight of 502.70 g/mol. Its IUPAC name is 1-[3-(9,9-dimethylfluoren-2-yl)-2-methylphenyl]-10-propylphenanthrene.

Molecular Properties

Compound Name1-[3-(9,9-dimethylfluoren-2-yl)-2-methylphenyl]-10-propylphenanthrene
PubChem CID144681180
Molecular FormulaC39H34
Molecular Weight502.70 g/mol
Exact Mass502.27
IUPAC Name1-[3-(9,9-dimethylfluoren-2-yl)-2-methylphenyl]-10-propylphenanthrene
SMILESCCCc1cc2ccccc2c2cccc(-c3cccc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c3C)c12
InChIInChI=1S/C39H34/c1-5-12-28-23-26-13-6-7-14-31(26)35-19-11-18-34(38(28)35)30-17-10-16-29(25(30)2)27-21-22-33-32-15-8-9-20-36(32)39(3,4)37(33)24-27/h6-11,13-24H,5,12H2,1-4H3
InChIKeyDYPKAEBTVXPJSC-UHFFFAOYSA-N
XLogP10.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.70
LogP ≤ 510.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-(9,9-dimethylfluoren-2-yl)-7-[7-[9,9-dimethyl-7-(2-naphthalen-1-ylphenyl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 58881021
2-[3-(9,9-dimethylfluoren-2-yl)phenyl]chrysene
CID 140710683
2-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-9,9-dimethylfluorene
CID 59133432
7-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene
CID 58569418
9-[7-[5-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]naphthalen-2-yl]phenanthrene
CID 58569626
3-[5-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)naphthalen-1-yl]fluoranthene
CID 58569600
9-bromo-7,7-dimethyl-3-propylbenzo[a]phenalene;7,7-dimethyl-3-propylbenzo[a]phenalene
CID 158571367
1,6-bis(9,9-dimethylfluoren-2-yl)-3-phenanthren-2-ylpyrene
CID 123865198
7-[4-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)naphthalen-1-yl]pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaene
CID 58569114
3-[7-(9,9-dimethylfluoren-2-yl)phenanthren-2-yl]chrysene
CID 123737415
9-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)phenanthrene
CID 58883838
6,6,12,12-tetramethyl-2-[6-(4-naphthalen-1-ylphenyl)pyren-1-yl]indeno[1,2-b]fluorene
CID 59390161

Frequently Asked Questions

What is the IUPAC name of 1-[3-(9,9-dimethylfluoren-2-yl)-2-methylphenyl]-10-propylphenanthrene?
The IUPAC name of 1-[3-(9,9-dimethylfluoren-2-yl)-2-methylphenyl]-10-propylphenanthrene (CID 144681180) is 1-[3-(9,9-dimethylfluoren-2-yl)-2-methylphenyl]-10-propylphenanthrene.
What is the SMILES notation for 1-[3-(9,9-dimethylfluoren-2-yl)-2-methylphenyl]-10-propylphenanthrene?
The canonical SMILES for 1-[3-(9,9-dimethylfluoren-2-yl)-2-methylphenyl]-10-propylphenanthrene is CCCc1cc2ccccc2c2cccc(-c3cccc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c3C)c12.
What is the InChIKey of 1-[3-(9,9-dimethylfluoren-2-yl)-2-methylphenyl]-10-propylphenanthrene?
The InChIKey is DYPKAEBTVXPJSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H34/c1-5-12-28-23-26-13-6-7-14-31(26)35-19-11-18-34(38(28)35)30-17-10-16-29(25(30)2)27-21-22-33-32-15-8-9-20-36(32)39(3,4)37(33)24-27/h6-11,13-24H,5,12H2,1-4H3.
What are the key properties of 1-[3-(9,9-dimethylfluoren-2-yl)-2-methylphenyl]-10-propylphenanthrene?
1-[3-(9,9-dimethylfluoren-2-yl)-2-methylphenyl]-10-propylphenanthrene has a molecular weight of 502.70 g/mol, XLogP of 10.89, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(9,9-dimethylfluoren-2-yl)-2-methylphenyl]-10-propylphenanthrene is sourced from PubChem (CID 144681180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).