2-[4-(11,11-diphenylbenzo[a]fluoren-6-yl)phenyl]-1,10-phenanthroline

C47H30N2 — CID 165152115

IUPAC2-[4-(11,11-diphenylbenzo[a]fluoren-6-yl)phenyl]-1,10-phenanthroline
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3c(-c4ccc(-c5ccc6ccc7cccnc7c6n5)cc4)cc4ccccc4c32)cc1
InChIInChI=1S/C47H30N2/c1-3-14-36(15-4-1)47(37-16-5-2-6-17-37)41-20-10-9-19-39(41)43-40(30-35-12-7-8-18-38(35)44(43)47)31-21-23-32(24-22-31)42-28-27-34-26-25-33-13-11-29-48-45(33)46(34)49-42/h1-30H
InChIKeyZHRDUTNHTJPQRS-UHFFFAOYSA-N
MW622.77 g/mol
LogP11.63
Rot. Bonds4

About 2-[4-(11,11-diphenylbenzo[a]fluoren-6-yl)phenyl]-1,10-phenanthroline

2-[4-(11,11-diphenylbenzo[a]fluoren-6-yl)phenyl]-1,10-phenanthroline (PubChem CID 165152115) has the molecular formula C47H30N2 and a molecular weight of 622.77 g/mol. Its IUPAC name is 2-[4-(11,11-diphenylbenzo[a]fluoren-6-yl)phenyl]-1,10-phenanthroline.

Molecular Properties

Compound Name2-[4-(11,11-diphenylbenzo[a]fluoren-6-yl)phenyl]-1,10-phenanthroline
PubChem CID165152115
Molecular FormulaC47H30N2
Molecular Weight622.77 g/mol
Exact Mass622.24
IUPAC Name2-[4-(11,11-diphenylbenzo[a]fluoren-6-yl)phenyl]-1,10-phenanthroline
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3c(-c4ccc(-c5ccc6ccc7cccnc7c6n5)cc4)cc4ccccc4c32)cc1
InChIInChI=1S/C47H30N2/c1-3-14-36(15-4-1)47(37-16-5-2-6-17-37)41-20-10-9-19-39(41)43-40(30-35-12-7-8-18-38(35)44(43)47)31-21-23-32(24-22-31)42-28-27-34-26-25-33-13-11-29-48-45(33)46(34)49-42/h1-30H
InChIKeyZHRDUTNHTJPQRS-UHFFFAOYSA-N
XLogP11.63
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.77
LogP ≤ 511.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[5-(7,7-diphenylbenzo[c]fluoren-3-yl)naphthalen-1-yl]-1,10-phenanthroline
CID 138739023
4-[4-(11,11-diphenylbenzo[a]fluoren-6-yl)phenyl]-2,6-diphenylpyrimidine
CID 165152038
2-[4-[4-(11,11-dimethylbenzo[a]fluoren-6-yl)phenyl]phenyl]-9-phenyl-1,10-phenanthroline
CID 165152163
4-[3-[4-(11,11-diphenylbenzo[a]fluoren-6-yl)phenyl]phenyl]-2,6-diphenylpyridine
CID 165151992
2-[4-(11,11-diphenylbenzo[a]fluoren-6-yl)phenyl]-4-(3,5-diphenylphenyl)-6-phenylpyrimidine
CID 165152292
14-[3-[4-(1,10-phenanthrolin-2-yl)phenyl]phenyl]-9,9-diphenyl-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene
CID 129124284
14-[4-[4-(1,10-phenanthrolin-2-yl)phenyl]phenyl]-9,9-diphenyl-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene
CID 129124304
4-(11,11-diphenylbenzo[a]fluoren-6-yl)-N,N-diphenylaniline
CID 170412944
2-[4-(1,3-diphenylbenzo[f]quinolin-5-yl)phenyl]-1,10-phenanthroline
CID 166568699
2-(9,9-diphenyl-5-triphenylen-2-ylfluoren-2-yl)-6-[7-[7-(1,10-phenanthrolin-2-yl)-9,9-diphenylfluoren-3-yl]triphenylen-2-yl]-1,10-phenanthroline
CID 137395647
2-(2-anthracen-9-yl-9,9-diphenylfluoren-3-yl)-1,10-phenanthroline
CID 142453502
4-(11,11-diphenylbenzo[a]fluoren-6-yl)-2,6-diphenylpyrimidine
CID 165152262

Frequently Asked Questions

What is the IUPAC name of 2-[4-(11,11-diphenylbenzo[a]fluoren-6-yl)phenyl]-1,10-phenanthroline?
The IUPAC name of 2-[4-(11,11-diphenylbenzo[a]fluoren-6-yl)phenyl]-1,10-phenanthroline (CID 165152115) is 2-[4-(11,11-diphenylbenzo[a]fluoren-6-yl)phenyl]-1,10-phenanthroline.
What is the SMILES notation for 2-[4-(11,11-diphenylbenzo[a]fluoren-6-yl)phenyl]-1,10-phenanthroline?
The canonical SMILES for 2-[4-(11,11-diphenylbenzo[a]fluoren-6-yl)phenyl]-1,10-phenanthroline is c1ccc(C2(c3ccccc3)c3ccccc3-c3c(-c4ccc(-c5ccc6ccc7cccnc7c6n5)cc4)cc4ccccc4c32)cc1.
What is the InChIKey of 2-[4-(11,11-diphenylbenzo[a]fluoren-6-yl)phenyl]-1,10-phenanthroline?
The InChIKey is ZHRDUTNHTJPQRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H30N2/c1-3-14-36(15-4-1)47(37-16-5-2-6-17-37)41-20-10-9-19-39(41)43-40(30-35-12-7-8-18-38(35)44(43)47)31-21-23-32(24-22-31)42-28-27-34-26-25-33-13-11-29-48-45(33)46(34)49-42/h1-30H.
What are the key properties of 2-[4-(11,11-diphenylbenzo[a]fluoren-6-yl)phenyl]-1,10-phenanthroline?
2-[4-(11,11-diphenylbenzo[a]fluoren-6-yl)phenyl]-1,10-phenanthroline has a molecular weight of 622.77 g/mol, XLogP of 11.63, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(11,11-diphenylbenzo[a]fluoren-6-yl)phenyl]-1,10-phenanthroline is sourced from PubChem (CID 165152115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).