4-carbazol-9-yl-9-[3-(4-carbazol-9-ylcarbazol-9-yl)-2-nitrophenyl]carbazole

C54H33N5O2 — CID 145376051

IUPAC4-carbazol-9-yl-9-[3-(4-carbazol-9-ylcarbazol-9-yl)-2-nitrophenyl]carbazole
SMILESO=[N+]([O-])c1c(-n2c3ccccc3c3c(-n4c5ccccc5c5ccccc54)cccc32)cccc1-n1c2ccccc2c2c(-n3c4ccccc4c4ccccc43)cccc21
InChIInChI=1S/C54H33N5O2/c60-59(61)54-50(57-44-26-11-5-20-38(44)52-46(28-13-30-48(52)57)55-40-22-7-1-16-34(40)35-17-2-8-23-41(35)55)32-15-33-51(54)58-45-27-12-6-21-39(45)53-47(29-14-31-49(53)58)56-42-24-9-3-18-36(42)37-19-4-10-25-43(37)56/h1-33H
InChIKeyBKWDLHQOKDCVLD-UHFFFAOYSA-N
MW783.89 g/mol
LogP13.98
Rot. Bonds5

About 4-carbazol-9-yl-9-[3-(4-carbazol-9-ylcarbazol-9-yl)-2-nitrophenyl]carbazole

4-carbazol-9-yl-9-[3-(4-carbazol-9-ylcarbazol-9-yl)-2-nitrophenyl]carbazole (PubChem CID 145376051) has the molecular formula C54H33N5O2 and a molecular weight of 783.89 g/mol. Its IUPAC name is 4-carbazol-9-yl-9-[3-(4-carbazol-9-ylcarbazol-9-yl)-2-nitrophenyl]carbazole.

Molecular Properties

Compound Name4-carbazol-9-yl-9-[3-(4-carbazol-9-ylcarbazol-9-yl)-2-nitrophenyl]carbazole
PubChem CID145376051
Molecular FormulaC54H33N5O2
Molecular Weight783.89 g/mol
Exact Mass783.26
IUPAC Name4-carbazol-9-yl-9-[3-(4-carbazol-9-ylcarbazol-9-yl)-2-nitrophenyl]carbazole
SMILESO=[N+]([O-])c1c(-n2c3ccccc3c3c(-n4c5ccccc5c5ccccc54)cccc32)cccc1-n1c2ccccc2c2c(-n3c4ccccc4c4ccccc43)cccc21
InChIInChI=1S/C54H33N5O2/c60-59(61)54-50(57-44-26-11-5-20-38(44)52-46(28-13-30-48(52)57)55-40-22-7-1-16-34(40)35-17-2-8-23-41(35)55)32-15-33-51(54)58-45-27-12-6-21-39(45)53-47(29-14-31-49(53)58)56-42-24-9-3-18-36(42)37-19-4-10-25-43(37)56/h1-33H
InChIKeyBKWDLHQOKDCVLD-UHFFFAOYSA-N
XLogP13.98
TPSA62.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500783.89
LogP ≤ 513.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-carbazol-9-yl-9-[3,5-di(carbazol-9-yl)phenyl]carbazole
CID 134352687
9-(5-carbazol-9-yl-2,4-dinitrophenyl)-4-[9-(5-carbazol-9-yl-2,4-dinitrophenyl)carbazol-4-yl]carbazole
CID 140923114
4-carbazol-9-yl-9-(2-methylphenyl)carbazole
CID 174273239
1-carbazol-9-yl-9-[9-(9-phenylcarbazol-1-yl)carbazol-4-yl]carbazole
CID 177094947
9-[2,6-bis(2-carbazol-9-ylphenyl)phenyl]-4-carbazol-9-ylcarbazole
CID 177114986
1-(4-carbazol-9-ylcarbazol-9-yl)-9-(9-phenylcarbazol-1-yl)carbazole
CID 177094929
9-(4-carbazol-9-ylcarbazol-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
CID 118422791
3-(4-carbazol-9-ylcarbazol-9-yl)-9-triphenylen-2-ylcarbazole
CID 134240254
4-carbazol-9-yl-9-[9-[3-phenyl-5-(3-phenylphenyl)phenyl]carbazol-4-yl]carbazole
CID 170659856
4-(1-nitronaphthalen-2-yl)-9-phenylcarbazole
CID 142290576
3-(4-carbazol-9-ylcarbazol-9-yl)-9-naphthalen-1-ylcarbazole
CID 134240253
12,18-diphenyl-15-(9-phenylcarbazol-4-yl)-12,15,18-triazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene
CID 174349441

Frequently Asked Questions

What is the IUPAC name of 4-carbazol-9-yl-9-[3-(4-carbazol-9-ylcarbazol-9-yl)-2-nitrophenyl]carbazole?
The IUPAC name of 4-carbazol-9-yl-9-[3-(4-carbazol-9-ylcarbazol-9-yl)-2-nitrophenyl]carbazole (CID 145376051) is 4-carbazol-9-yl-9-[3-(4-carbazol-9-ylcarbazol-9-yl)-2-nitrophenyl]carbazole.
What is the SMILES notation for 4-carbazol-9-yl-9-[3-(4-carbazol-9-ylcarbazol-9-yl)-2-nitrophenyl]carbazole?
The canonical SMILES for 4-carbazol-9-yl-9-[3-(4-carbazol-9-ylcarbazol-9-yl)-2-nitrophenyl]carbazole is O=[N+]([O-])c1c(-n2c3ccccc3c3c(-n4c5ccccc5c5ccccc54)cccc32)cccc1-n1c2ccccc2c2c(-n3c4ccccc4c4ccccc43)cccc21.
What is the InChIKey of 4-carbazol-9-yl-9-[3-(4-carbazol-9-ylcarbazol-9-yl)-2-nitrophenyl]carbazole?
The InChIKey is BKWDLHQOKDCVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H33N5O2/c60-59(61)54-50(57-44-26-11-5-20-38(44)52-46(28-13-30-48(52)57)55-40-22-7-1-16-34(40)35-17-2-8-23-41(35)55)32-15-33-51(54)58-45-27-12-6-21-39(45)53-47(29-14-31-49(53)58)56-42-24-9-3-18-36(42)37-19-4-10-25-43(37)56/h1-33H.
What are the key properties of 4-carbazol-9-yl-9-[3-(4-carbazol-9-ylcarbazol-9-yl)-2-nitrophenyl]carbazole?
4-carbazol-9-yl-9-[3-(4-carbazol-9-ylcarbazol-9-yl)-2-nitrophenyl]carbazole has a molecular weight of 783.89 g/mol, XLogP of 13.98, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carbazol-9-yl-9-[3-(4-carbazol-9-ylcarbazol-9-yl)-2-nitrophenyl]carbazole is sourced from PubChem (CID 145376051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).