2-[4-(9,9-dimethylfluoren-2-yl)phenyl]benzo[f]isoquinoline

C34H25N — CID 59470260

IUPAC2-[4-(9,9-dimethylfluoren-2-yl)phenyl]benzo[f]isoquinoline
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(-c4cc5c(ccc6ccccc65)cn4)cc3)cc21
InChIInChI=1S/C34H25N/c1-34(2)31-10-6-5-9-28(31)29-18-17-25(19-32(29)34)22-11-14-24(15-12-22)33-20-30-26(21-35-33)16-13-23-7-3-4-8-27(23)30/h3-21H,1-2H3
InChIKeyORJWCMRJYPRQGP-UHFFFAOYSA-N
MW447.58 g/mol
LogP9.03
Rot. Bonds2

About 2-[4-(9,9-dimethylfluoren-2-yl)phenyl]benzo[f]isoquinoline

2-[4-(9,9-dimethylfluoren-2-yl)phenyl]benzo[f]isoquinoline (PubChem CID 59470260) has the molecular formula C34H25N and a molecular weight of 447.58 g/mol. Its IUPAC name is 2-[4-(9,9-dimethylfluoren-2-yl)phenyl]benzo[f]isoquinoline.

Molecular Properties

Compound Name2-[4-(9,9-dimethylfluoren-2-yl)phenyl]benzo[f]isoquinoline
PubChem CID59470260
Molecular FormulaC34H25N
Molecular Weight447.58 g/mol
Exact Mass447.20
IUPAC Name2-[4-(9,9-dimethylfluoren-2-yl)phenyl]benzo[f]isoquinoline
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(-c4cc5c(ccc6ccccc65)cn4)cc3)cc21
InChIInChI=1S/C34H25N/c1-34(2)31-10-6-5-9-28(31)29-18-17-25(19-32(29)34)22-11-14-24(15-12-22)33-20-30-26(21-35-33)16-13-23-7-3-4-8-27(23)30/h3-21H,1-2H3
InChIKeyORJWCMRJYPRQGP-UHFFFAOYSA-N
XLogP9.03
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.58
LogP ≤ 59.03
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

2-[4-[7-(9,9-diethylfluoren-2-yl)-9,9-diethylfluoren-2-yl]phenyl]benzo[f]isoquinoline
CID 140780616
2-[4-(9,9-dimethylfluoren-2-yl)benzene-6-id-1-yl]benzo[f]isoquinoline;iridium
CID 59470259
3-[7-(9,9-dimethylfluoren-2-yl)phenanthren-2-yl]chrysene
CID 123737415
2-[3-(9,9-dimethylfluoren-2-yl)phenyl]chrysene
CID 140710683
2-(9,9-dimethylfluoren-2-yl)-7-[7-[7-[7-[9,9-dimethyl-7-(4-naphthalen-2-ylphenyl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 123392580
2-(9,9-dimethylfluoren-2-yl)-7-[9,9-dimethyl-7-[4-(4-naphthalen-2-ylphenyl)phenyl]fluoren-2-yl]-9,9-dimethylfluorene
CID 123709509
3-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenanthro[9,10-b]pyrazine
CID 118474143
9,9-dimethyl-N,N-bis(4-phenanthren-3-ylphenyl)fluoren-2-amine
CID 142614599
3-(9,9-dimethyl-7-phenanthren-2-ylfluoren-2-yl)chrysene
CID 123538339
5-[4-(9,9-dimethylfluoren-2-yl)phenyl]benzo[c]phenanthrene
CID 140710800
2-[9,9-dimethyl-7-(4-naphthalen-1-ylphenyl)fluoren-2-yl]-9,9-dimethyl-7-[4-(4-naphthalen-1-ylphenyl)phenyl]fluorene
CID 123969680
5,5-dimethyl-3-naphthalen-2-ylindeno[1,2-c]pyridine
CID 59182949

Frequently Asked Questions

What is the IUPAC name of 2-[4-(9,9-dimethylfluoren-2-yl)phenyl]benzo[f]isoquinoline?
The IUPAC name of 2-[4-(9,9-dimethylfluoren-2-yl)phenyl]benzo[f]isoquinoline (CID 59470260) is 2-[4-(9,9-dimethylfluoren-2-yl)phenyl]benzo[f]isoquinoline.
What is the SMILES notation for 2-[4-(9,9-dimethylfluoren-2-yl)phenyl]benzo[f]isoquinoline?
The canonical SMILES for 2-[4-(9,9-dimethylfluoren-2-yl)phenyl]benzo[f]isoquinoline is CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4cc5c(ccc6ccccc65)cn4)cc3)cc21.
What is the InChIKey of 2-[4-(9,9-dimethylfluoren-2-yl)phenyl]benzo[f]isoquinoline?
The InChIKey is ORJWCMRJYPRQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H25N/c1-34(2)31-10-6-5-9-28(31)29-18-17-25(19-32(29)34)22-11-14-24(15-12-22)33-20-30-26(21-35-33)16-13-23-7-3-4-8-27(23)30/h3-21H,1-2H3.
What are the key properties of 2-[4-(9,9-dimethylfluoren-2-yl)phenyl]benzo[f]isoquinoline?
2-[4-(9,9-dimethylfluoren-2-yl)phenyl]benzo[f]isoquinoline has a molecular weight of 447.58 g/mol, XLogP of 9.03, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(9,9-dimethylfluoren-2-yl)phenyl]benzo[f]isoquinoline is sourced from PubChem (CID 59470260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).