9-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-3,4-dihydrophenanthrene

C50H40 — CID 143619795

IUPAC9-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-3,4-dihydrophenanthrene
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc(-c6cc7c(c8ccccc68)CCC=C7)cc5)ccc3-4)cc21
InChIInChI=1S/C50H40/c1-49(2)45-16-10-9-15-40(45)41-25-22-34(29-46(41)49)35-23-26-43-42-24-21-33(28-47(42)50(3,4)48(43)30-35)31-17-19-32(20-18-31)44-27-36-11-5-6-12-37(36)38-13-7-8-14-39(38)44/h5,7-11,13-30H,6,12H2,1-4H3
InChIKeyXKNHKROQTAJWEC-UHFFFAOYSA-N
MW640.87 g/mol
LogP13.41
Rot. Bonds3

About 9-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-3,4-dihydrophenanthrene

9-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-3,4-dihydrophenanthrene (PubChem CID 143619795) has the molecular formula C50H40 and a molecular weight of 640.87 g/mol. Its IUPAC name is 9-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-3,4-dihydrophenanthrene.

Molecular Properties

Compound Name9-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-3,4-dihydrophenanthrene
PubChem CID143619795
Molecular FormulaC50H40
Molecular Weight640.87 g/mol
Exact Mass640.31
IUPAC Name9-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-3,4-dihydrophenanthrene
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc(-c6cc7c(c8ccccc68)CCC=C7)cc5)ccc3-4)cc21
InChIInChI=1S/C50H40/c1-49(2)45-16-10-9-15-40(45)41-25-22-34(29-46(41)49)35-23-26-43-42-24-21-33(28-47(42)50(3,4)48(43)30-35)31-17-19-32(20-18-31)44-27-36-11-5-6-12-37(36)38-13-7-8-14-39(38)44/h5,7-11,13-30H,6,12H2,1-4H3
InChIKeyXKNHKROQTAJWEC-UHFFFAOYSA-N
XLogP13.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.87
LogP ≤ 513.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-9,9-dimethylfluorene
CID 59133432
9,9-dimethyl-2-[4-methyl-3-(2-methylcyclohexa-1,5-dien-1-yl)phenyl]fluorene
CID 145212388
2-[4-[4-[4-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-yl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 129228023
2-[3,5-bis[7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 101336380
2,7-bis[3,5-bis[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-9,9-dimethylfluorene
CID 58881238
9-(9,9-dimethylfluoren-2-yl)-15-[4-[15-(9,9-dimethylfluoren-2-yl)-12,12-dimethyl-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenyl]-12,12-dimethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 58479671
2-(9,9-dimethylfluoren-2-yl)dibenzofuran
CID 122548566
9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-12,12-dimethyl-15-phenylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 58151610
5-[4-(9,9-dimethylfluoren-2-yl)phenyl]benzo[c]phenanthrene
CID 140710800
2-(5,6-dihydronaphthalen-2-yl)-7-iodo-9,9-dimethylfluorene
CID 70999827
9,10-bis(9,9-dimethylfluoren-2-yl)-2-[4-(10-phenyl-1,4-dihydroanthracen-9-yl)phenyl]anthracene
CID 153275967
2-cyclohexa-1,3-dien-1-yl-9,9-dimethylfluorene
CID 142381891

Frequently Asked Questions

What is the IUPAC name of 9-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-3,4-dihydrophenanthrene?
The IUPAC name of 9-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-3,4-dihydrophenanthrene (CID 143619795) is 9-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-3,4-dihydrophenanthrene.
What is the SMILES notation for 9-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-3,4-dihydrophenanthrene?
The canonical SMILES for 9-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-3,4-dihydrophenanthrene is CC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc(-c6cc7c(c8ccccc68)CCC=C7)cc5)ccc3-4)cc21.
What is the InChIKey of 9-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-3,4-dihydrophenanthrene?
The InChIKey is XKNHKROQTAJWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H40/c1-49(2)45-16-10-9-15-40(45)41-25-22-34(29-46(41)49)35-23-26-43-42-24-21-33(28-47(42)50(3,4)48(43)30-35)31-17-19-32(20-18-31)44-27-36-11-5-6-12-37(36)38-13-7-8-14-39(38)44/h5,7-11,13-30H,6,12H2,1-4H3.
What are the key properties of 9-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-3,4-dihydrophenanthrene?
9-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-3,4-dihydrophenanthrene has a molecular weight of 640.87 g/mol, XLogP of 13.41, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-3,4-dihydrophenanthrene is sourced from PubChem (CID 143619795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).