3-chloro-9-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]carbazole

C32H30ClN — CID 170278908

IUPAC3-chloro-9-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]carbazole
SMILESCC1(C)CCC(C)(C)c2cc(-c3cccc(-n4c5ccccc5c5cc(Cl)ccc54)c3)ccc21
InChIInChI=1S/C32H30ClN/c1-31(2)16-17-32(3,4)28-19-22(12-14-27(28)31)21-8-7-9-24(18-21)34-29-11-6-5-10-25(29)26-20-23(33)13-15-30(26)34/h5-15,18-20H,16-17H2,1-4H3
InChIKeyZBYYVPUAGAYGIN-UHFFFAOYSA-N
MW464.05 g/mol
LogP9.45
Rot. Bonds2

About 3-chloro-9-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]carbazole

3-chloro-9-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]carbazole (PubChem CID 170278908) has the molecular formula C32H30ClN and a molecular weight of 464.05 g/mol. Its IUPAC name is 3-chloro-9-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]carbazole.

Molecular Properties

Compound Name3-chloro-9-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]carbazole
PubChem CID170278908
Molecular FormulaC32H30ClN
Molecular Weight464.05 g/mol
Exact Mass463.21
IUPAC Name3-chloro-9-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]carbazole
SMILESCC1(C)CCC(C)(C)c2cc(-c3cccc(-n4c5ccccc5c5cc(Cl)ccc54)c3)ccc21
InChIInChI=1S/C32H30ClN/c1-31(2)16-17-32(3,4)28-19-22(12-14-27(28)31)21-8-7-9-24(18-21)34-29-11-6-5-10-25(29)26-20-23(33)13-15-30(26)34/h5-15,18-20H,16-17H2,1-4H3
InChIKeyZBYYVPUAGAYGIN-UHFFFAOYSA-N
XLogP9.45
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.05
LogP ≤ 59.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(9-phenylcarbazol-3-yl)-9-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]phenyl]carbazole
CID 170277828
9-[3-[3,6-bis(3-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]-3,6-bis(3-carbazol-9-ylphenyl)carbazole
CID 153162679
CID 174138943
CID 174138943
2-(9-phenylcarbazol-2-yl)-9-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]carbazole
CID 170277971
3-(9-dibenzothiophen-3-ylcarbazol-3-yl)-9-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbazole
CID 170277812
9-[3-[4-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 118041263
9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole
CID 23386664
5,11,17-tris(3-phenylcarbazol-9-yl)-8,14-bis[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
CID 171425573
11-(3,6-diphenylcarbazol-9-yl)-5-phenyl-17-(3-phenylcarbazol-9-yl)-8,14-bis[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene
CID 171425488
11-(3,6-diphenylcarbazol-9-yl)-5,17-bis(3-phenylcarbazol-9-yl)-8,14-bis[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
CID 171425460
N-(4-phenylphenyl)-N-[4-[9-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbazol-3-yl]phenyl]naphthalen-2-amine
CID 170277583
3,9-diphenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 118449494

Frequently Asked Questions

What is the IUPAC name of 3-chloro-9-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]carbazole?
The IUPAC name of 3-chloro-9-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]carbazole (CID 170278908) is 3-chloro-9-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]carbazole.
What is the SMILES notation for 3-chloro-9-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]carbazole?
The canonical SMILES for 3-chloro-9-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]carbazole is CC1(C)CCC(C)(C)c2cc(-c3cccc(-n4c5ccccc5c5cc(Cl)ccc54)c3)ccc21.
What is the InChIKey of 3-chloro-9-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]carbazole?
The InChIKey is ZBYYVPUAGAYGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30ClN/c1-31(2)16-17-32(3,4)28-19-22(12-14-27(28)31)21-8-7-9-24(18-21)34-29-11-6-5-10-25(29)26-20-23(33)13-15-30(26)34/h5-15,18-20H,16-17H2,1-4H3.
What are the key properties of 3-chloro-9-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]carbazole?
3-chloro-9-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]carbazole has a molecular weight of 464.05 g/mol, XLogP of 9.45, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-9-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]carbazole is sourced from PubChem (CID 170278908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).