5-phenanthren-1-yl-9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole

C50H32N2 — CID 134369811

IUPAC5-phenanthren-1-yl-9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4c(-c6cccc7c6ccc6ccccc67)cccc4n5-c4ccccc4)ccc32)cc1
InChIInChI=1S/C50H32N2/c1-3-14-36(15-4-1)51-46-23-10-9-19-42(46)44-31-34(26-29-47(44)51)35-27-30-48-45(32-35)50-43(22-12-24-49(50)52(48)37-16-5-2-6-17-37)40-21-11-20-39-38-18-8-7-13-33(38)25-28-41(39)40/h1-32H
InChIKeyHKPKAYHIHJJUDJ-UHFFFAOYSA-N
MW660.82 g/mol
LogP13.52
Rot. Bonds4

About 5-phenanthren-1-yl-9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole

5-phenanthren-1-yl-9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole (PubChem CID 134369811) has the molecular formula C50H32N2 and a molecular weight of 660.82 g/mol. Its IUPAC name is 5-phenanthren-1-yl-9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole.

Molecular Properties

Compound Name5-phenanthren-1-yl-9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
PubChem CID134369811
Molecular FormulaC50H32N2
Molecular Weight660.82 g/mol
Exact Mass660.26
IUPAC Name5-phenanthren-1-yl-9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4c(-c6cccc7c6ccc6ccccc67)cccc4n5-c4ccccc4)ccc32)cc1
InChIInChI=1S/C50H32N2/c1-3-14-36(15-4-1)51-46-23-10-9-19-42(46)44-31-34(26-29-47(44)51)35-27-30-48-45(32-35)50-43(22-12-24-49(50)52(48)37-16-5-2-6-17-37)40-21-11-20-39-38-18-8-7-13-33(38)25-28-41(39)40/h1-32H
InChIKeyHKPKAYHIHJJUDJ-UHFFFAOYSA-N
XLogP13.52
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.82
LogP ≤ 513.52
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

5-naphthalen-1-yl-9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 134369788
5-phenanthren-3-yl-9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 134369812
12-phenyl-7-(9-phenylcarbazol-3-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene
CID 121246518
10-(9-fluoranthen-2-ylcarbazol-3-yl)-7-phenylbenzo[c]carbazole
CID 130294957
9-phenyl-3-(9-phenylcarbazol-3-yl)-5-[4-(4-phenylphenyl)phenyl]carbazole
CID 134369783
5,9-diphenyl-3-(9-triphenylen-2-ylcarbazol-3-yl)carbazole
CID 134369810
3-(4-phenanthren-3-ylphenyl)-9-phenylcarbazole
CID 88569888
11-[4-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[a]carbazole
CID 144568635
5,9-diphenyl-3-(9-phenylcarbazol-3-yl)carbazole;5-phenyl-3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 160685377
5,9-diphenyl-3-(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 162115946
9-phenyl-5-(4-phenylphenyl)-3-[9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]carbazole
CID 170073009
9-phenyl-4-[7-[3-(3-triphenylen-2-ylcarbazol-9-yl)phenyl]triphenylen-2-yl]carbazole
CID 126548022

Frequently Asked Questions

What is the IUPAC name of 5-phenanthren-1-yl-9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole?
The IUPAC name of 5-phenanthren-1-yl-9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole (CID 134369811) is 5-phenanthren-1-yl-9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole.
What is the SMILES notation for 5-phenanthren-1-yl-9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole?
The canonical SMILES for 5-phenanthren-1-yl-9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole is c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4c(-c6cccc7c6ccc6ccccc67)cccc4n5-c4ccccc4)ccc32)cc1.
What is the InChIKey of 5-phenanthren-1-yl-9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole?
The InChIKey is HKPKAYHIHJJUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N2/c1-3-14-36(15-4-1)51-46-23-10-9-19-42(46)44-31-34(26-29-47(44)51)35-27-30-48-45(32-35)50-43(22-12-24-49(50)52(48)37-16-5-2-6-17-37)40-21-11-20-39-38-18-8-7-13-33(38)25-28-41(39)40/h1-32H.
What are the key properties of 5-phenanthren-1-yl-9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole?
5-phenanthren-1-yl-9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole has a molecular weight of 660.82 g/mol, XLogP of 13.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenanthren-1-yl-9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole is sourced from PubChem (CID 134369811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).