1-[2-(4-chloro-2-phenanthren-9-ylphenyl)phenyl]-9H-carbazole

C38H24ClN — CID 175930440

IUPAC1-[2-(4-chloro-2-phenanthren-9-ylphenyl)phenyl]-9H-carbazole
SMILESClc1ccc(-c2ccccc2-c2cccc3c2[nH]c2ccccc23)c(-c2cc3ccccc3c3ccccc23)c1
InChIInChI=1S/C38H24ClN/c39-25-20-21-31(36(23-25)35-22-24-10-1-2-11-26(24)27-12-3-6-15-30(27)35)28-13-4-5-14-29(28)33-17-9-18-34-32-16-7-8-19-37(32)40-38(33)34/h1-23,40H
InChIKeyHBRNRDXYGLXKEY-UHFFFAOYSA-N
MW530.07 g/mol
LogP11.28
Rot. Bonds3

About 1-[2-(4-chloro-2-phenanthren-9-ylphenyl)phenyl]-9H-carbazole

1-[2-(4-chloro-2-phenanthren-9-ylphenyl)phenyl]-9H-carbazole (PubChem CID 175930440) has the molecular formula C38H24ClN and a molecular weight of 530.07 g/mol. Its IUPAC name is 1-[2-(4-chloro-2-phenanthren-9-ylphenyl)phenyl]-9H-carbazole.

Molecular Properties

Compound Name1-[2-(4-chloro-2-phenanthren-9-ylphenyl)phenyl]-9H-carbazole
PubChem CID175930440
Molecular FormulaC38H24ClN
Molecular Weight530.07 g/mol
Exact Mass529.16
IUPAC Name1-[2-(4-chloro-2-phenanthren-9-ylphenyl)phenyl]-9H-carbazole
SMILESClc1ccc(-c2ccccc2-c2cccc3c2[nH]c2ccccc23)c(-c2cc3ccccc3c3ccccc23)c1
InChIInChI=1S/C38H24ClN/c39-25-20-21-31(36(23-25)35-22-24-10-1-2-11-26(24)27-12-3-6-15-30(27)35)28-13-4-5-14-29(28)33-17-9-18-34-32-16-7-8-19-37(32)40-38(33)34/h1-23,40H
InChIKeyHBRNRDXYGLXKEY-UHFFFAOYSA-N
XLogP11.28
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.07
LogP ≤ 511.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

1-[2-(9H-carbazol-1-yl)phenyl]-9H-carbazole
CID 66618059
1-fluoranthen-3-yl-9H-carbazole
CID 142752993
1-[3-[6-[3-(9H-carbazol-1-yl)phenyl]-2-pyridinyl]phenyl]-9H-carbazole;phenanthren-9-ol
CID 158526660
2-(4-chloro-2-phenanthren-9-ylphenyl)-9,9'-spirobi[fluorene]
CID 139546668
16-azahexacyclo[12.11.0.02,11.05,10.015,23.017,22]pentacosa-1(14),2(11),3,5,7,9,12,15(23),17,19,21,24-dodecaene
CID 86153881
1-[4-[4-[4-[4-(9H-carbazol-1-yl)phenyl]phenyl]phenyl]phenyl]-9H-carbazole
CID 175958773
1-[2,3,6-tris(9H-carbazol-1-yl)-4-pyridinyl]-9H-carbazole
CID 154262736
1-(3,4-diphenylphenyl)-9H-carbazole
CID 141489388
N-[2-(9H-carbazol-1-yl)phenyl]-4-chloro-3-iodoaniline
CID 155346642
9-[3-(4-chloro-2-phenanthren-9-ylphenyl)phenyl]carbazole
CID 167485592
2-(9H-carbazol-1-yl)-N,N-bis[2-(9H-carbazol-1-yl)phenyl]aniline
CID 68812374
8-chlorofluoranthene
CID 15737453

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chloro-2-phenanthren-9-ylphenyl)phenyl]-9H-carbazole?
The IUPAC name of 1-[2-(4-chloro-2-phenanthren-9-ylphenyl)phenyl]-9H-carbazole (CID 175930440) is 1-[2-(4-chloro-2-phenanthren-9-ylphenyl)phenyl]-9H-carbazole.
What is the SMILES notation for 1-[2-(4-chloro-2-phenanthren-9-ylphenyl)phenyl]-9H-carbazole?
The canonical SMILES for 1-[2-(4-chloro-2-phenanthren-9-ylphenyl)phenyl]-9H-carbazole is Clc1ccc(-c2ccccc2-c2cccc3c2[nH]c2ccccc23)c(-c2cc3ccccc3c3ccccc23)c1.
What is the InChIKey of 1-[2-(4-chloro-2-phenanthren-9-ylphenyl)phenyl]-9H-carbazole?
The InChIKey is HBRNRDXYGLXKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24ClN/c39-25-20-21-31(36(23-25)35-22-24-10-1-2-11-26(24)27-12-3-6-15-30(27)35)28-13-4-5-14-29(28)33-17-9-18-34-32-16-7-8-19-37(32)40-38(33)34/h1-23,40H.
What are the key properties of 1-[2-(4-chloro-2-phenanthren-9-ylphenyl)phenyl]-9H-carbazole?
1-[2-(4-chloro-2-phenanthren-9-ylphenyl)phenyl]-9H-carbazole has a molecular weight of 530.07 g/mol, XLogP of 11.28, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chloro-2-phenanthren-9-ylphenyl)phenyl]-9H-carbazole is sourced from PubChem (CID 175930440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).