9-[6-carbazol-9-yl-9,10-bis(4-fluorophenyl)phenanthren-3-yl]carbazole

C50H30F2N2 — CID 88887940

IUPAC9-[6-carbazol-9-yl-9,10-bis(4-fluorophenyl)phenanthren-3-yl]carbazole
SMILESFc1ccc(-c2c(-c3ccc(F)cc3)c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc23)cc1
InChIInChI=1S/C50H30F2N2/c51-33-21-17-31(18-22-33)49-41-27-25-35(53-45-13-5-1-9-37(45)38-10-2-6-14-46(38)53)29-43(41)44-30-36(26-28-42(44)50(49)32-19-23-34(52)24-20-32)54-47-15-7-3-11-39(47)40-12-4-8-16-48(40)54/h1-30H
InChIKeyIMJXOISZMMMMRJ-UHFFFAOYSA-N
MW696.80 g/mol
LogP13.80
Rot. Bonds4

About 9-[6-carbazol-9-yl-9,10-bis(4-fluorophenyl)phenanthren-3-yl]carbazole

9-[6-carbazol-9-yl-9,10-bis(4-fluorophenyl)phenanthren-3-yl]carbazole (PubChem CID 88887940) has the molecular formula C50H30F2N2 and a molecular weight of 696.80 g/mol. Its IUPAC name is 9-[6-carbazol-9-yl-9,10-bis(4-fluorophenyl)phenanthren-3-yl]carbazole.

Molecular Properties

Compound Name9-[6-carbazol-9-yl-9,10-bis(4-fluorophenyl)phenanthren-3-yl]carbazole
PubChem CID88887940
Molecular FormulaC50H30F2N2
Molecular Weight696.80 g/mol
Exact Mass696.24
IUPAC Name9-[6-carbazol-9-yl-9,10-bis(4-fluorophenyl)phenanthren-3-yl]carbazole
SMILESFc1ccc(-c2c(-c3ccc(F)cc3)c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc23)cc1
InChIInChI=1S/C50H30F2N2/c51-33-21-17-31(18-22-33)49-41-27-25-35(53-45-13-5-1-9-37(45)38-10-2-6-14-46(38)53)29-43(41)44-30-36(26-28-42(44)50(49)32-19-23-34(52)24-20-32)54-47-15-7-3-11-39(47)40-12-4-8-16-48(40)54/h1-30H
InChIKeyIMJXOISZMMMMRJ-UHFFFAOYSA-N
XLogP13.80
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500696.80
LogP ≤ 513.80
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

3-[10-(4-fluorophenyl)anthracen-9-yl]-9-phenylcarbazole
CID 170395491
9-[4-[4-(4-carbazol-9-ylphenyl)-2,3,5,6-tetrafluorophenyl]phenyl]carbazole
CID 102109316
9-[6,10-di(carbazol-9-yl)triphenylen-2-yl]carbazole
CID 122548627
15-[9-(3,5-diphenylphenyl)carbazol-3-yl]-10-(4-fluorophenyl)-14-phenyl-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 90336953
9-[4-[10-[10-(4-carbazol-9-ylphenyl)anthracen-9-yl]anthracen-9-yl]phenyl]carbazole
CID 58971557
3-fluoro-9-[4-[4-(3-fluorocarbazol-9-yl)phenyl]phenyl]carbazole
CID 23534181
3,6-bis[6-fluoro-9-(4-fluorophenyl)carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 59307012
5,11-di(triphenylen-2-yl)indolo[3,2-b]carbazole
CID 166009559
2-carbazol-9-yl-9-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazole
CID 118335077
9-[3-carbazol-9-yl-5-(7-carbazol-9-yltriphenylen-2-yl)phenyl]carbazole
CID 88884836
9-(7-carbazol-9-yl-9,10-dinaphthalen-2-ylanthracen-2-yl)carbazole
CID 59220884
9-[4-[10-(4-carbazol-9-ylphenyl)-2-[4-(10-phenylanthracen-9-yl)phenyl]anthracen-9-yl]phenyl]carbazole
CID 58963473

Frequently Asked Questions

What is the IUPAC name of 9-[6-carbazol-9-yl-9,10-bis(4-fluorophenyl)phenanthren-3-yl]carbazole?
The IUPAC name of 9-[6-carbazol-9-yl-9,10-bis(4-fluorophenyl)phenanthren-3-yl]carbazole (CID 88887940) is 9-[6-carbazol-9-yl-9,10-bis(4-fluorophenyl)phenanthren-3-yl]carbazole.
What is the SMILES notation for 9-[6-carbazol-9-yl-9,10-bis(4-fluorophenyl)phenanthren-3-yl]carbazole?
The canonical SMILES for 9-[6-carbazol-9-yl-9,10-bis(4-fluorophenyl)phenanthren-3-yl]carbazole is Fc1ccc(-c2c(-c3ccc(F)cc3)c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc23)cc1.
What is the InChIKey of 9-[6-carbazol-9-yl-9,10-bis(4-fluorophenyl)phenanthren-3-yl]carbazole?
The InChIKey is IMJXOISZMMMMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30F2N2/c51-33-21-17-31(18-22-33)49-41-27-25-35(53-45-13-5-1-9-37(45)38-10-2-6-14-46(38)53)29-43(41)44-30-36(26-28-42(44)50(49)32-19-23-34(52)24-20-32)54-47-15-7-3-11-39(47)40-12-4-8-16-48(40)54/h1-30H.
What are the key properties of 9-[6-carbazol-9-yl-9,10-bis(4-fluorophenyl)phenanthren-3-yl]carbazole?
9-[6-carbazol-9-yl-9,10-bis(4-fluorophenyl)phenanthren-3-yl]carbazole has a molecular weight of 696.80 g/mol, XLogP of 13.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[6-carbazol-9-yl-9,10-bis(4-fluorophenyl)phenanthren-3-yl]carbazole is sourced from PubChem (CID 88887940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).