1-chloro-9-(9-naphthalen-1-ylcarbazol-1-yl)carbazole

C34H21ClN2 — CID 168807655

IUPAC1-chloro-9-(9-naphthalen-1-ylcarbazol-1-yl)carbazole
SMILESClc1cccc2c3ccccc3n(-c3cccc4c5ccccc5n(-c5cccc6ccccc56)c34)c12
InChIInChI=1S/C34H21ClN2/c35-28-17-8-15-26-24-13-3-6-19-31(24)37(33(26)28)32-21-9-16-27-25-14-4-5-18-30(25)36(34(27)32)29-20-7-11-22-10-1-2-12-23(22)29/h1-21H
InChIKeyBOVJWGQVBIBMTF-UHFFFAOYSA-N
MW493.01 g/mol
LogP9.69
Rot. Bonds2

About 1-chloro-9-(9-naphthalen-1-ylcarbazol-1-yl)carbazole

1-chloro-9-(9-naphthalen-1-ylcarbazol-1-yl)carbazole (PubChem CID 168807655) has the molecular formula C34H21ClN2 and a molecular weight of 493.01 g/mol. Its IUPAC name is 1-chloro-9-(9-naphthalen-1-ylcarbazol-1-yl)carbazole.

Molecular Properties

Compound Name1-chloro-9-(9-naphthalen-1-ylcarbazol-1-yl)carbazole
PubChem CID168807655
Molecular FormulaC34H21ClN2
Molecular Weight493.01 g/mol
Exact Mass492.14
IUPAC Name1-chloro-9-(9-naphthalen-1-ylcarbazol-1-yl)carbazole
SMILESClc1cccc2c3ccccc3n(-c3cccc4c5ccccc5n(-c5cccc6ccccc56)c34)c12
InChIInChI=1S/C34H21ClN2/c35-28-17-8-15-26-24-13-3-6-19-31(24)37(33(26)28)32-21-9-16-27-25-14-4-5-18-30(25)36(34(27)32)29-20-7-11-22-10-1-2-12-23(22)29/h1-21H
InChIKeyBOVJWGQVBIBMTF-UHFFFAOYSA-N
XLogP9.69
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.01
LogP ≤ 59.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-naphthalen-1-yl-1-(9-naphthalen-1-ylcarbazol-1-yl)carbazole
CID 134507274
9,19-dinaphthalen-1-yl-9,19-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,18(26),20,22,24,27,29,31-pentadecaene
CID 135163071
11-naphthalen-1-yl-12-[3-(11-naphthalen-1-ylindolo[2,3-a]carbazol-12-yl)-5-phenylphenyl]indolo[2,3-a]carbazole
CID 59365908
2-naphthalen-2-yl-13-(9-naphthalen-1-ylcarbazol-1-yl)-2,13-diazahexacyclo[12.8.4.13,7.18,12.017,25.020,24]octacosa-1(23),3,5,7(28),8(27),9,11,14(26),15,17(25),18,20(24),21-tridecaene
CID 170651943
9-naphthalen-1-yl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene
CID 135162926
2-(9-naphthalen-1-ylcarbazol-1-yl)-13-(9-naphthalen-1-ylcarbazol-3-yl)-2,13-diazahexacyclo[12.8.4.13,7.18,12.017,25.020,24]octacosa-1(23),3,5,7(28),8(27),9,11,14(26),15,17(25),18,20(24),21-tridecaene
CID 170652031
12-naphthalen-1-yl-11-[4-(9-phenylcarbazol-2-yl)phenyl]indolo[2,3-a]carbazole
CID 134168605
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-naphthalen-1-ylindolo[2,3-a]carbazole
CID 138623523
2-(9-naphthalen-1-ylcarbazol-1-yl)-13-(9-naphthalen-1-ylcarbazol-2-yl)-2,13-diazahexacyclo[12.8.4.13,7.18,12.017,25.020,24]octacosa-1(23),3,5,7(28),8(27),9,11,14(26),15,17(25),18,20(24),21-tridecaene
CID 170651999
9-naphthalen-1-yl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazol-9-yl]carbazole
CID 168807730
9,25-dinaphthalen-1-yl-9,25-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.019,24.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,18(26),19,21,23,27,29,31-pentadecaene;9,25-dinaphthalen-2-yl-9,25-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.019,24.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,18(26),19,21,23,27,29,31-pentadecaene
CID 160857402
9-[2-(2-chlorophenyl)phenyl]-1-fluorocarbazole
CID 163919842

Frequently Asked Questions

What is the IUPAC name of 1-chloro-9-(9-naphthalen-1-ylcarbazol-1-yl)carbazole?
The IUPAC name of 1-chloro-9-(9-naphthalen-1-ylcarbazol-1-yl)carbazole (CID 168807655) is 1-chloro-9-(9-naphthalen-1-ylcarbazol-1-yl)carbazole.
What is the SMILES notation for 1-chloro-9-(9-naphthalen-1-ylcarbazol-1-yl)carbazole?
The canonical SMILES for 1-chloro-9-(9-naphthalen-1-ylcarbazol-1-yl)carbazole is Clc1cccc2c3ccccc3n(-c3cccc4c5ccccc5n(-c5cccc6ccccc56)c34)c12.
What is the InChIKey of 1-chloro-9-(9-naphthalen-1-ylcarbazol-1-yl)carbazole?
The InChIKey is BOVJWGQVBIBMTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H21ClN2/c35-28-17-8-15-26-24-13-3-6-19-31(24)37(33(26)28)32-21-9-16-27-25-14-4-5-18-30(25)36(34(27)32)29-20-7-11-22-10-1-2-12-23(22)29/h1-21H.
What are the key properties of 1-chloro-9-(9-naphthalen-1-ylcarbazol-1-yl)carbazole?
1-chloro-9-(9-naphthalen-1-ylcarbazol-1-yl)carbazole has a molecular weight of 493.01 g/mol, XLogP of 9.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-9-(9-naphthalen-1-ylcarbazol-1-yl)carbazole is sourced from PubChem (CID 168807655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).