2-(9,9-diphenyl-2-quinolin-6-ylfluoren-3-yl)-1,10-phenanthroline

C46H29N3 — CID 142453620

IUPAC2-(9,9-diphenyl-2-quinolin-6-ylfluoren-3-yl)-1,10-phenanthroline
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3cc(-c4ccc5ccc6cccnc6c5n4)c(-c4ccc5ncccc5c4)cc32)cc1
InChIInChI=1S/C46H29N3/c1-3-13-34(14-4-1)46(35-15-5-2-6-16-35)40-18-8-7-17-36(40)38-28-39(37(29-41(38)46)32-22-23-42-33(27-32)12-10-25-47-42)43-24-21-31-20-19-30-11-9-26-48-44(30)45(31)49-43/h1-29H
InChIKeyPOJNFCVNCHDVEG-UHFFFAOYSA-N
MW623.76 g/mol
LogP11.03
Rot. Bonds4

About 2-(9,9-diphenyl-2-quinolin-6-ylfluoren-3-yl)-1,10-phenanthroline

2-(9,9-diphenyl-2-quinolin-6-ylfluoren-3-yl)-1,10-phenanthroline (PubChem CID 142453620) has the molecular formula C46H29N3 and a molecular weight of 623.76 g/mol. Its IUPAC name is 2-(9,9-diphenyl-2-quinolin-6-ylfluoren-3-yl)-1,10-phenanthroline.

Molecular Properties

Compound Name2-(9,9-diphenyl-2-quinolin-6-ylfluoren-3-yl)-1,10-phenanthroline
PubChem CID142453620
Molecular FormulaC46H29N3
Molecular Weight623.76 g/mol
Exact Mass623.24
IUPAC Name2-(9,9-diphenyl-2-quinolin-6-ylfluoren-3-yl)-1,10-phenanthroline
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3cc(-c4ccc5ccc6cccnc6c5n4)c(-c4ccc5ncccc5c4)cc32)cc1
InChIInChI=1S/C46H29N3/c1-3-13-34(14-4-1)46(35-15-5-2-6-16-35)40-18-8-7-17-36(40)38-28-39(37(29-41(38)46)32-22-23-42-33(27-32)12-10-25-47-42)43-24-21-31-20-19-30-11-9-26-48-44(30)45(31)49-43/h1-29H
InChIKeyPOJNFCVNCHDVEG-UHFFFAOYSA-N
XLogP11.03
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500623.76
LogP ≤ 511.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(1,10-phenanthrolin-2-yl)-9,9-diphenylfluoren-3-yl]benzonitrile
CID 142453679
4-[3-(1,10-phenanthrolin-2-yl)-9,9-diphenylfluoren-2-yl]benzonitrile
CID 142453638
2-(2-anthracen-9-yl-9,9-diphenylfluoren-3-yl)-1,10-phenanthroline
CID 142453502
2-phenyl-9-(2,9,9-triphenylfluoren-3-yl)-1,10-phenanthroline
CID 142453659
6-[4-(9,9-diphenylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]quinoline
CID 151110061
2-[9-cyclohepta-1,3,6-trien-1-yl-9-phenyl-2-(4-phenylphenyl)fluoren-3-yl]-1,10-phenanthroline
CID 142453612
14-[3-[4-(1,10-phenanthrolin-2-yl)phenyl]phenyl]-10,10-diphenyl-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 129124156
2-(9,9-diphenylfluoren-3-yl)-9-pyridin-2-yl-1,10-phenanthroline
CID 171732305
2-[5-(7,7-diphenylbenzo[c]fluoren-3-yl)naphthalen-1-yl]-1,10-phenanthroline
CID 138739023
2-[4-(9,9-diphenyl-2-pyridin-2-ylfluoren-3-yl)phenyl]pyridine
CID 142453488
2-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-19-yl)-1,10-phenanthroline
CID 138573838
21-[4-[6-(1,10-phenanthrolin-5-yl)quinolin-2-yl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 146408697

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-diphenyl-2-quinolin-6-ylfluoren-3-yl)-1,10-phenanthroline?
The IUPAC name of 2-(9,9-diphenyl-2-quinolin-6-ylfluoren-3-yl)-1,10-phenanthroline (CID 142453620) is 2-(9,9-diphenyl-2-quinolin-6-ylfluoren-3-yl)-1,10-phenanthroline.
What is the SMILES notation for 2-(9,9-diphenyl-2-quinolin-6-ylfluoren-3-yl)-1,10-phenanthroline?
The canonical SMILES for 2-(9,9-diphenyl-2-quinolin-6-ylfluoren-3-yl)-1,10-phenanthroline is c1ccc(C2(c3ccccc3)c3ccccc3-c3cc(-c4ccc5ccc6cccnc6c5n4)c(-c4ccc5ncccc5c4)cc32)cc1.
What is the InChIKey of 2-(9,9-diphenyl-2-quinolin-6-ylfluoren-3-yl)-1,10-phenanthroline?
The InChIKey is POJNFCVNCHDVEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29N3/c1-3-13-34(14-4-1)46(35-15-5-2-6-16-35)40-18-8-7-17-36(40)38-28-39(37(29-41(38)46)32-22-23-42-33(27-32)12-10-25-47-42)43-24-21-31-20-19-30-11-9-26-48-44(30)45(31)49-43/h1-29H.
What are the key properties of 2-(9,9-diphenyl-2-quinolin-6-ylfluoren-3-yl)-1,10-phenanthroline?
2-(9,9-diphenyl-2-quinolin-6-ylfluoren-3-yl)-1,10-phenanthroline has a molecular weight of 623.76 g/mol, XLogP of 11.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,9-diphenyl-2-quinolin-6-ylfluoren-3-yl)-1,10-phenanthroline is sourced from PubChem (CID 142453620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).