9-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]phenanthrene

C45H30 — CID 123590616

IUPAC9-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]phenanthrene
SMILESc1ccc(C2(c3ccc(-c4ccc(-c5cc6ccccc6c6ccccc56)cc4)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C45H30/c1-2-13-35(14-3-1)45(43-20-10-8-18-40(43)41-19-9-11-21-44(41)45)36-28-26-32(27-29-36)31-22-24-33(25-23-31)42-30-34-12-4-5-15-37(34)38-16-6-7-17-39(38)42/h1-30H
InChIKeyCVJDUERPNHBSBF-UHFFFAOYSA-N
MW570.74 g/mol
LogP11.69
Rot. Bonds4

About 9-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]phenanthrene

9-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]phenanthrene (PubChem CID 123590616) has the molecular formula C45H30 and a molecular weight of 570.74 g/mol. Its IUPAC name is 9-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]phenanthrene.

Molecular Properties

Compound Name9-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]phenanthrene
PubChem CID123590616
Molecular FormulaC45H30
Molecular Weight570.74 g/mol
Exact Mass570.23
IUPAC Name9-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]phenanthrene
SMILESc1ccc(C2(c3ccc(-c4ccc(-c5cc6ccccc6c6ccccc56)cc4)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C45H30/c1-2-13-35(14-3-1)45(43-20-10-8-18-40(43)41-19-9-11-21-44(41)45)36-28-26-32(27-29-36)31-22-24-33(25-23-31)42-30-34-12-4-5-15-37(34)38-16-6-7-17-39(38)42/h1-30H
InChIKeyCVJDUERPNHBSBF-UHFFFAOYSA-N
XLogP11.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.74
LogP ≤ 511.69
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-phenanthren-9-yl-4-[4-(9-phenylfluoren-9-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 164949544
N-(4-phenanthren-9-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 142754283
N-(9,9-diphenylfluoren-2-yl)-N-(4-phenanthren-9-ylphenyl)triphenylen-2-amine
CID 142567575
3-phenanthren-9-yl-11,11-diphenylbenzo[a]fluorene
CID 166034552
2-naphthalen-2-yl-4-phenanthren-9-yl-6-[4-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine
CID 165003642
N-(4-phenanthren-9-ylphenyl)-9,9-diphenyl-N-[2,3,5,6-tetradeuterio-4-(2,3,5,6-tetradeuterio-4-phenylphenyl)phenyl]fluoren-2-amine
CID 153471387
2-phenanthren-9-yl-4-(5-phenylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine;2-phenanthren-2-yl-4-phenyl-6-[4-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine;2-phenanthren-2-yl-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 164974676
2-naphthalen-2-yl-4-(4-naphthalen-2-ylphenyl)-6-phenanthren-9-yl-1,3,5-triazine;2-(3-phenanthren-9-ylnaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine;2-phenanthren-9-yl-4-[4-(9-phenylfluoren-9-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 164949541
N-(3-phenanthren-9-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-9,9-diphenylfluoren-3-amine
CID 142614746
2-[4-[9-(4-triphenylen-2-ylphenyl)fluoren-9-yl]phenyl]triphenylene
CID 123796850
5-phenanthren-9-yl-7,7-diphenylbenzo[c]fluorene
CID 166034504
N,N-bis(4-phenanthren-9-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 142614600

Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]phenanthrene?
The IUPAC name of 9-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]phenanthrene (CID 123590616) is 9-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]phenanthrene.
What is the SMILES notation for 9-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]phenanthrene?
The canonical SMILES for 9-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]phenanthrene is c1ccc(C2(c3ccc(-c4ccc(-c5cc6ccccc6c6ccccc56)cc4)cc3)c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 9-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]phenanthrene?
The InChIKey is CVJDUERPNHBSBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H30/c1-2-13-35(14-3-1)45(43-20-10-8-18-40(43)41-19-9-11-21-44(41)45)36-28-26-32(27-29-36)31-22-24-33(25-23-31)42-30-34-12-4-5-15-37(34)38-16-6-7-17-39(38)42/h1-30H.
What are the key properties of 9-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]phenanthrene?
9-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]phenanthrene has a molecular weight of 570.74 g/mol, XLogP of 11.69, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]phenanthrene is sourced from PubChem (CID 123590616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).