4-(1-nitronaphthalen-2-yl)-9-phenylcarbazole

C28H18N2O2 — CID 142290576

IUPAC4-(1-nitronaphthalen-2-yl)-9-phenylcarbazole
SMILESO=[N+]([O-])c1c(-c2cccc3c2c2ccccc2n3-c2ccccc2)ccc2ccccc12
InChIInChI=1S/C28H18N2O2/c31-30(32)28-21-12-5-4-9-19(21)17-18-23(28)22-14-8-16-26-27(22)24-13-6-7-15-25(24)29(26)20-10-2-1-3-11-20/h1-18H
InChIKeyCMENGTQNRITLND-UHFFFAOYSA-N
MW414.46 g/mol
LogP7.51
Rot. Bonds3

About 4-(1-nitronaphthalen-2-yl)-9-phenylcarbazole

4-(1-nitronaphthalen-2-yl)-9-phenylcarbazole (PubChem CID 142290576) has the molecular formula C28H18N2O2 and a molecular weight of 414.46 g/mol. Its IUPAC name is 4-(1-nitronaphthalen-2-yl)-9-phenylcarbazole.

Molecular Properties

Compound Name4-(1-nitronaphthalen-2-yl)-9-phenylcarbazole
PubChem CID142290576
Molecular FormulaC28H18N2O2
Molecular Weight414.46 g/mol
Exact Mass414.14
IUPAC Name4-(1-nitronaphthalen-2-yl)-9-phenylcarbazole
SMILESO=[N+]([O-])c1c(-c2cccc3c2c2ccccc2n3-c2ccccc2)ccc2ccccc12
InChIInChI=1S/C28H18N2O2/c31-30(32)28-21-12-5-4-9-19(21)17-18-23(28)22-14-8-16-26-27(22)24-13-6-7-15-25(24)29(26)20-10-2-1-3-11-20/h1-18H
InChIKeyCMENGTQNRITLND-UHFFFAOYSA-N
XLogP7.51
TPSA48.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.46
LogP ≤ 57.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(8-nitronaphthalen-1-yl)-9-phenylcarbazole
CID 142725520
4-benzo[c]phenanthren-5-yl-9-phenylcarbazole
CID 121287474
4-(9-naphthalen-2-ylcarbazol-4-yl)-9-phenylcarbazole
CID 134507252
4-(4-fluoranthen-3-ylnaphthalen-1-yl)-9-phenylcarbazole
CID 122434619
9-phenyl-4-[10-(9-phenylcarbazol-4-yl)perylen-3-yl]carbazole
CID 171428659
4-(2-nitrophenyl)-5,10-diphenylindolo[3,2-b]indole
CID 118197251
9-phenyl-4-quinolin-2-ylcarbazole
CID 90057431
5-naphthalen-1-yl-9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 134369788
5-phenanthren-1-yl-9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 134369811
9-phenyl-4-[8-(9-phenylcarbazol-4-yl)-10-(7-phenylnaphthalen-1-yl)anthracen-1-yl]carbazole
CID 155333886
21-naphthalen-1-yl-27-phenyl-27-azaheptacyclo[12.11.1.16,9.02,7.08,13.015,20.022,26]heptacosa-1(25),2(7),3,5,8(13),9,11,14(26),15,17,19,21,23-tridecaene
CID 170226043
9-(5-carbazol-9-yl-2,4-dinitrophenyl)-4-[9-(5-carbazol-9-yl-2,4-dinitrophenyl)carbazol-4-yl]carbazole
CID 140923114

Frequently Asked Questions

What is the IUPAC name of 4-(1-nitronaphthalen-2-yl)-9-phenylcarbazole?
The IUPAC name of 4-(1-nitronaphthalen-2-yl)-9-phenylcarbazole (CID 142290576) is 4-(1-nitronaphthalen-2-yl)-9-phenylcarbazole.
What is the SMILES notation for 4-(1-nitronaphthalen-2-yl)-9-phenylcarbazole?
The canonical SMILES for 4-(1-nitronaphthalen-2-yl)-9-phenylcarbazole is O=[N+]([O-])c1c(-c2cccc3c2c2ccccc2n3-c2ccccc2)ccc2ccccc12.
What is the InChIKey of 4-(1-nitronaphthalen-2-yl)-9-phenylcarbazole?
The InChIKey is CMENGTQNRITLND-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18N2O2/c31-30(32)28-21-12-5-4-9-19(21)17-18-23(28)22-14-8-16-26-27(22)24-13-6-7-15-25(24)29(26)20-10-2-1-3-11-20/h1-18H.
What are the key properties of 4-(1-nitronaphthalen-2-yl)-9-phenylcarbazole?
4-(1-nitronaphthalen-2-yl)-9-phenylcarbazole has a molecular weight of 414.46 g/mol, XLogP of 7.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-nitronaphthalen-2-yl)-9-phenylcarbazole is sourced from PubChem (CID 142290576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).