4-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)dibenzofuran

C41H28O — CID 87688488

IUPAC4-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)dibenzofuran
SMILESCC1(C)c2cc(-c3cc4ccccc4c4ccccc34)ccc2-c2ccc(-c3cccc4c3oc3ccccc34)cc21
InChIInChI=1S/C41H28O/c1-41(2)37-23-26(29-15-9-16-35-34-14-7-8-17-39(34)42-40(29)35)18-20-32(37)33-21-19-27(24-38(33)41)36-22-25-10-3-4-11-28(25)30-12-5-6-13-31(30)36/h3-24H,1-2H3
InChIKeyOKJWZYKZIAXBER-UHFFFAOYSA-N
MW536.67 g/mol
LogP11.53
Rot. Bonds2

About 4-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)dibenzofuran

4-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)dibenzofuran (PubChem CID 87688488) has the molecular formula C41H28O and a molecular weight of 536.67 g/mol. Its IUPAC name is 4-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)dibenzofuran.

Molecular Properties

Compound Name4-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)dibenzofuran
PubChem CID87688488
Molecular FormulaC41H28O
Molecular Weight536.67 g/mol
Exact Mass536.21
IUPAC Name4-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)dibenzofuran
SMILESCC1(C)c2cc(-c3cc4ccccc4c4ccccc34)ccc2-c2ccc(-c3cccc4c3oc3ccccc34)cc21
InChIInChI=1S/C41H28O/c1-41(2)37-23-26(29-15-9-16-35-34-14-7-8-17-39(34)42-40(29)35)18-20-32(37)33-21-19-27(24-38(33)41)36-22-25-10-3-4-11-28(25)30-12-5-6-13-31(30)36/h3-24H,1-2H3
InChIKeyOKJWZYKZIAXBER-UHFFFAOYSA-N
XLogP11.53
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.67
LogP ≤ 511.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-7-phenanthren-9-yl-N-(2-phenylphenyl)fluoren-2-amine
CID 121321641
5-(9,9-dimethyl-7-triphenylen-2-ylfluoren-2-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 163474399
3,6-di(dibenzofuran-4-yl)-10,10-dimethylanthracen-9-one
CID 71260985
9-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)phenanthrene
CID 58883838
N-(3-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-(5-phenanthren-9-yl-2-phenylphenyl)fluoren-2-amine
CID 167233836
2-(4-dibenzofuran-4-ylphenyl)-7-(9,9-dimethylfluoren-2-yl)-1,3-benzoxazole
CID 67888519
N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-N-(9,9-dimethyl-7-phenylfluoren-2-yl)phenanthren-9-amine
CID 88534204
4-(23,23-dimethyl-5-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaenyl)dibenzofuran
CID 118472826
9-[3-[9,9-dimethyl-7-(3-phenanthren-9-ylphenyl)fluoren-2-yl]phenyl]phenanthrene
CID 58881017
4-[3-[4-(10,10-dimethyl-16-pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaenyl)phenyl]phenyl]dibenzofuran
CID 118360081
4-(4-phenanthren-9-ylnaphthalen-1-yl)dibenzofuran;4-(5-phenanthren-9-ylnaphthalen-1-yl)dibenzofuran;4-(2-phenanthren-9-ylphenyl)dibenzofuran;4-(3-phenanthren-9-ylphenyl)dibenzofuran
CID 162114359
N-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-naphthalen-1-yl-7-phenylfluoren-2-amine
CID 67964367

Frequently Asked Questions

What is the IUPAC name of 4-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)dibenzofuran?
The IUPAC name of 4-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)dibenzofuran (CID 87688488) is 4-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)dibenzofuran.
What is the SMILES notation for 4-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)dibenzofuran?
The canonical SMILES for 4-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)dibenzofuran is CC1(C)c2cc(-c3cc4ccccc4c4ccccc34)ccc2-c2ccc(-c3cccc4c3oc3ccccc34)cc21.
What is the InChIKey of 4-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)dibenzofuran?
The InChIKey is OKJWZYKZIAXBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H28O/c1-41(2)37-23-26(29-15-9-16-35-34-14-7-8-17-39(34)42-40(29)35)18-20-32(37)33-21-19-27(24-38(33)41)36-22-25-10-3-4-11-28(25)30-12-5-6-13-31(30)36/h3-24H,1-2H3.
What are the key properties of 4-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)dibenzofuran?
4-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)dibenzofuran has a molecular weight of 536.67 g/mol, XLogP of 11.53, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)dibenzofuran is sourced from PubChem (CID 87688488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).