9-[3-(5,11,11-triphenylbenzo[b]fluoren-2-yl)phenyl]-1,2-dihydro-1,10-phenanthroline

C53H36N2 — CID 170411869

IUPAC9-[3-(5,11,11-triphenylbenzo[b]fluoren-2-yl)phenyl]-1,2-dihydro-1,10-phenanthroline
SMILESC1=Cc2ccc3ccc(-c4cccc(-c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5cc7ccccc7c(-c7ccccc7)c5-6)c4)nc3c2NC1
InChIInChI=1S/C53H36N2/c1-4-14-35(15-5-1)49-44-24-11-10-16-40(44)34-47-50(49)45-29-27-39(33-46(45)53(47,42-20-6-2-7-21-42)43-22-8-3-9-23-43)38-17-12-18-41(32-38)48-30-28-37-26-25-36-19-13-31-54-51(36)52(37)55-48/h1-30,32-34,54H,31H2
InChIKeyDKBCSJIFMUJHEC-UHFFFAOYSA-N
MW700.88 g/mol
LogP13.19
Rot. Bonds5

About 9-[3-(5,11,11-triphenylbenzo[b]fluoren-2-yl)phenyl]-1,2-dihydro-1,10-phenanthroline

9-[3-(5,11,11-triphenylbenzo[b]fluoren-2-yl)phenyl]-1,2-dihydro-1,10-phenanthroline (PubChem CID 170411869) has the molecular formula C53H36N2 and a molecular weight of 700.88 g/mol. Its IUPAC name is 9-[3-(5,11,11-triphenylbenzo[b]fluoren-2-yl)phenyl]-1,2-dihydro-1,10-phenanthroline.

Molecular Properties

Compound Name9-[3-(5,11,11-triphenylbenzo[b]fluoren-2-yl)phenyl]-1,2-dihydro-1,10-phenanthroline
PubChem CID170411869
Molecular FormulaC53H36N2
Molecular Weight700.88 g/mol
Exact Mass700.29
IUPAC Name9-[3-(5,11,11-triphenylbenzo[b]fluoren-2-yl)phenyl]-1,2-dihydro-1,10-phenanthroline
SMILESC1=Cc2ccc3ccc(-c4cccc(-c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5cc7ccccc7c(-c7ccccc7)c5-6)c4)nc3c2NC1
InChIInChI=1S/C53H36N2/c1-4-14-35(15-5-1)49-44-24-11-10-16-40(44)34-47-50(49)45-29-27-39(33-46(45)53(47,42-20-6-2-7-21-42)43-22-8-3-9-23-43)38-17-12-18-41(32-38)48-30-28-37-26-25-36-19-13-31-54-51(36)52(37)55-48/h1-30,32-34,54H,31H2
InChIKeyDKBCSJIFMUJHEC-UHFFFAOYSA-N
XLogP13.19
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500700.88
LogP ≤ 513.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 9-[3-(5,11,11-triphenylbenzo[b]fluoren-2-yl)phenyl]-1,2-dihydro-1,10-phenanthroline with MolForge

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Related Compounds

2,4-dinaphthalen-2-yl-6-(5,11,11-triphenylbenzo[b]fluoren-2-yl)-1,3,5-triazine
CID 170411801
9-[4-(6-phenylspiro[benzo[a]fluorene-11,9'-fluorene]-9-yl)cyclohex-2-en-1-yl]-1,2-dihydro-1,10-phenanthroline
CID 170411992
2-(7-naphthalen-1-yl-9,9-diphenylfluoren-2-yl)-9-phenyl-1,10-phenanthroline
CID 134596702
2'-[6-[6-(1,2-dihydroquinolin-7-yl)pyrimidin-4-yl]-9,9-diphenylfluoren-3-yl]spiro[2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]
CID 163579877
CID 146184593
CID 146184593
2-[4-(11,11-diphenylbenzo[a]fluoren-6-yl)phenyl]-1,10-phenanthroline
CID 165152115
7,7-diphenyl-5,9-bis[3-(3-phenylphenyl)phenyl]benzo[c]fluorene
CID 59755365
7,7-diphenyl-5,9-bis[4-[3-(3-phenylphenyl)phenyl]phenyl]benzo[c]fluorene
CID 59755297
4-(11,11-diphenylbenzo[a]fluoren-6-yl)-2,6-bis(3-phenylphenyl)pyridine
CID 165152143
2-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-1,10-phenanthroline
CID 121460929
2-[5-(7,7-diphenylbenzo[c]fluoren-3-yl)naphthalen-1-yl]-1,10-phenanthroline
CID 138739023
3-[3-(7,7-diphenylbenzo[g]fluoren-9-yl)phenyl]-5-isocyanopyridine
CID 140768911

Frequently Asked Questions

What is the IUPAC name of 9-[3-(5,11,11-triphenylbenzo[b]fluoren-2-yl)phenyl]-1,2-dihydro-1,10-phenanthroline?
The IUPAC name of 9-[3-(5,11,11-triphenylbenzo[b]fluoren-2-yl)phenyl]-1,2-dihydro-1,10-phenanthroline (CID 170411869) is 9-[3-(5,11,11-triphenylbenzo[b]fluoren-2-yl)phenyl]-1,2-dihydro-1,10-phenanthroline.
What is the SMILES notation for 9-[3-(5,11,11-triphenylbenzo[b]fluoren-2-yl)phenyl]-1,2-dihydro-1,10-phenanthroline?
The canonical SMILES for 9-[3-(5,11,11-triphenylbenzo[b]fluoren-2-yl)phenyl]-1,2-dihydro-1,10-phenanthroline is C1=Cc2ccc3ccc(-c4cccc(-c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5cc7ccccc7c(-c7ccccc7)c5-6)c4)nc3c2NC1.
What is the InChIKey of 9-[3-(5,11,11-triphenylbenzo[b]fluoren-2-yl)phenyl]-1,2-dihydro-1,10-phenanthroline?
The InChIKey is DKBCSJIFMUJHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H36N2/c1-4-14-35(15-5-1)49-44-24-11-10-16-40(44)34-47-50(49)45-29-27-39(33-46(45)53(47,42-20-6-2-7-21-42)43-22-8-3-9-23-43)38-17-12-18-41(32-38)48-30-28-37-26-25-36-19-13-31-54-51(36)52(37)55-48/h1-30,32-34,54H,31H2.
What are the key properties of 9-[3-(5,11,11-triphenylbenzo[b]fluoren-2-yl)phenyl]-1,2-dihydro-1,10-phenanthroline?
9-[3-(5,11,11-triphenylbenzo[b]fluoren-2-yl)phenyl]-1,2-dihydro-1,10-phenanthroline has a molecular weight of 700.88 g/mol, XLogP of 13.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(5,11,11-triphenylbenzo[b]fluoren-2-yl)phenyl]-1,2-dihydro-1,10-phenanthroline is sourced from PubChem (CID 170411869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).