9-phenanthren-9-yl-2-(9-phenanthren-9-ylcarbazol-3-yl)carbazole

C52H32N2 — CID 134507293

IUPAC9-phenanthren-9-yl-2-(9-phenanthren-9-ylcarbazol-3-yl)carbazole
SMILESc1ccc2c(c1)cc(-n1c3ccccc3c3cc(-c4ccc5c6ccccc6n(-c6cc7ccccc7c7ccccc67)c5c4)ccc31)c1ccccc12
InChIInChI=1S/C52H32N2/c1-3-15-37-35(13-1)31-51(41-19-7-5-17-39(37)41)53-48-24-12-10-22-44(48)46-29-33(26-28-49(46)53)34-25-27-45-43-21-9-11-23-47(43)54(50(45)30-34)52-32-36-14-2-4-16-38(36)40-18-6-8-20-42(40)52/h1-32H
InChIKeyQTVRGPILTKBBLU-UHFFFAOYSA-N
MW684.84 g/mol
LogP14.16
Rot. Bonds3

About 9-phenanthren-9-yl-2-(9-phenanthren-9-ylcarbazol-3-yl)carbazole

9-phenanthren-9-yl-2-(9-phenanthren-9-ylcarbazol-3-yl)carbazole (PubChem CID 134507293) has the molecular formula C52H32N2 and a molecular weight of 684.84 g/mol. Its IUPAC name is 9-phenanthren-9-yl-2-(9-phenanthren-9-ylcarbazol-3-yl)carbazole.

Molecular Properties

Compound Name9-phenanthren-9-yl-2-(9-phenanthren-9-ylcarbazol-3-yl)carbazole
PubChem CID134507293
Molecular FormulaC52H32N2
Molecular Weight684.84 g/mol
Exact Mass684.26
IUPAC Name9-phenanthren-9-yl-2-(9-phenanthren-9-ylcarbazol-3-yl)carbazole
SMILESc1ccc2c(c1)cc(-n1c3ccccc3c3cc(-c4ccc5c6ccccc6n(-c6cc7ccccc7c7ccccc67)c5c4)ccc31)c1ccccc12
InChIInChI=1S/C52H32N2/c1-3-15-37-35(13-1)31-51(41-19-7-5-17-39(37)41)53-48-24-12-10-22-44(48)46-29-33(26-28-49(46)53)34-25-27-45-43-21-9-11-23-47(43)54(50(45)30-34)52-32-36-14-2-4-16-38(36)40-18-6-8-20-42(40)52/h1-32H
InChIKeyQTVRGPILTKBBLU-UHFFFAOYSA-N
XLogP14.16
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500684.84
LogP ≤ 514.16
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

9-phenanthren-9-yl-6-phenyl-2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 155087360
2-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;9-naphthalen-2-yl-2-(9-naphthalen-2-ylcarbazol-3-yl)carbazole;2-(9-phenanthren-9-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-phenanthren-9-ylcarbazol-2-yl)-9-phenylcarbazole
CID 165003485
3-(3-naphthalen-1-ylphenyl)-9-phenanthren-9-ylcarbazole
CID 88569900
3-(9-phenanthren-9-ylcarbazol-3-yl)-9-[2-(4-phenylphenyl)phenyl]carbazole
CID 146848842
4-[4-[3-(9-phenanthren-9-ylcarbazol-3-yl)carbazol-9-yl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 118179769
3-(3-naphthalen-1-ylphenyl)-9-phenanthren-9-ylcarbazole;3-(3-naphthalen-2-ylphenyl)-9-phenanthren-9-ylcarbazole;9-phenanthren-9-yl-3-(4-triphenylen-2-ylphenyl)carbazole
CID 159219862
9-phenanthren-9-yl-2-[4-(4-phenylphenyl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 155087272
3-(9-benzo[c]phenanthren-5-ylcarbazol-3-yl)-9-phenanthren-9-ylcarbazole;3-(9-chrysen-2-ylcarbazol-3-yl)-9-triphenylen-2-ylcarbazole
CID 158409298
4-[9-phenanthren-9-yl-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline
CID 142424808
9-naphthalen-1-yl-14-[3-(9-phenylcarbazol-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-naphthalen-1-yl-14-[3-(9-phenylcarbazol-3-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-phenanthren-9-yl-14-[4-(9-phenylcarbazol-3-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 159135255
9-phenanthren-9-yl-3-[4-[7'-[4-(9-phenanthren-9-ylcarbazol-3-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole
CID 59236178
3-[4-[9,9-dimethyl-7-[4-(9-phenanthren-9-ylcarbazol-3-yl)naphthalen-1-yl]fluoren-2-yl]naphthalen-1-yl]-9-phenanthren-9-ylcarbazole
CID 59236548

Frequently Asked Questions

What is the IUPAC name of 9-phenanthren-9-yl-2-(9-phenanthren-9-ylcarbazol-3-yl)carbazole?
The IUPAC name of 9-phenanthren-9-yl-2-(9-phenanthren-9-ylcarbazol-3-yl)carbazole (CID 134507293) is 9-phenanthren-9-yl-2-(9-phenanthren-9-ylcarbazol-3-yl)carbazole.
What is the SMILES notation for 9-phenanthren-9-yl-2-(9-phenanthren-9-ylcarbazol-3-yl)carbazole?
The canonical SMILES for 9-phenanthren-9-yl-2-(9-phenanthren-9-ylcarbazol-3-yl)carbazole is c1ccc2c(c1)cc(-n1c3ccccc3c3cc(-c4ccc5c6ccccc6n(-c6cc7ccccc7c7ccccc67)c5c4)ccc31)c1ccccc12.
What is the InChIKey of 9-phenanthren-9-yl-2-(9-phenanthren-9-ylcarbazol-3-yl)carbazole?
The InChIKey is QTVRGPILTKBBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N2/c1-3-15-37-35(13-1)31-51(41-19-7-5-17-39(37)41)53-48-24-12-10-22-44(48)46-29-33(26-28-49(46)53)34-25-27-45-43-21-9-11-23-47(43)54(50(45)30-34)52-32-36-14-2-4-16-38(36)40-18-6-8-20-42(40)52/h1-32H.
What are the key properties of 9-phenanthren-9-yl-2-(9-phenanthren-9-ylcarbazol-3-yl)carbazole?
9-phenanthren-9-yl-2-(9-phenanthren-9-ylcarbazol-3-yl)carbazole has a molecular weight of 684.84 g/mol, XLogP of 14.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenanthren-9-yl-2-(9-phenanthren-9-ylcarbazol-3-yl)carbazole is sourced from PubChem (CID 134507293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).