9-(6-bromonaphthalen-2-yl)-3,6-ditert-butylcarbazole

C30H30BrN — CID 138478846

IUPAC9-(6-bromonaphthalen-2-yl)-3,6-ditert-butylcarbazole
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C30H30BrN/c1-29(2,3)21-9-13-27-25(17-21)26-18-22(30(4,5)6)10-14-28(26)32(27)24-12-8-19-15-23(31)11-7-20(19)16-24/h7-18H,1-6H3
InChIKeyYBPAQJCYVJMTBO-UHFFFAOYSA-N
MW484.48 g/mol
LogP9.29
Rot. Bonds1

About 9-(6-bromonaphthalen-2-yl)-3,6-ditert-butylcarbazole

9-(6-bromonaphthalen-2-yl)-3,6-ditert-butylcarbazole (PubChem CID 138478846) has the molecular formula C30H30BrN and a molecular weight of 484.48 g/mol. Its IUPAC name is 9-(6-bromonaphthalen-2-yl)-3,6-ditert-butylcarbazole.

Molecular Properties

Compound Name9-(6-bromonaphthalen-2-yl)-3,6-ditert-butylcarbazole
PubChem CID138478846
Molecular FormulaC30H30BrN
Molecular Weight484.48 g/mol
Exact Mass483.16
IUPAC Name9-(6-bromonaphthalen-2-yl)-3,6-ditert-butylcarbazole
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C30H30BrN/c1-29(2,3)21-9-13-27-25(17-21)26-18-22(30(4,5)6)10-14-28(26)32(27)24-12-8-19-15-23(31)11-7-20(19)16-24/h7-18H,1-6H3
InChIKeyYBPAQJCYVJMTBO-UHFFFAOYSA-N
XLogP9.29
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.48
LogP ≤ 59.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9-(4-bromophenyl)-3,6-ditert-butylcarbazole
CID 139082644
9-[7-[3,6-bis(4-tert-butylphenyl)carbazol-9-yl]naphthalen-2-yl]-3,6-bis(4-tert-butylphenyl)carbazole
CID 138479348
9-(5-bromo-2-pyridinyl)-3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazole
CID 146209381
3-bromo-9-(4-tert-butylphenyl)-6-methylcarbazole
CID 91019320
6,20-bis(3,6-ditert-butylcarbazol-9-yl)-10,16-diphenyl-10,16-diazahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene
CID 146666361
2,6-dibromo-9-naphthalen-2-ylcarbazole
CID 126674108
5-tert-butyl-1-[6-[6-[6-(5-tert-butyl-2,3-dimethylindol-1-yl)naphthalen-2-yl]naphthalen-2-yl]naphthalen-2-yl]-2,3-dimethylindole
CID 138579833
N,N-bis(5-tert-butyl-2-methylphenyl)-17-(3,6-ditert-butylcarbazol-9-yl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine
CID 166031875
9-[6-[7-[3,6-bis(2-methylbutan-2-yl)carbazol-9-yl]naphthalen-2-yl]naphthalen-2-yl]-3,6-bis(2-methylbutan-2-yl)carbazole
CID 138479050
2-tert-butyl-5-[6-(2-tert-butyl-7,7-dimethylindeno[2,1-b]carbazol-5-yl)anthracen-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 121355720
3,6-ditert-butyl-9-(3,5-dibromo-4-chlorophenyl)carbazole
CID 166581837
9-(4-bromophenyl)-2-tert-butylcarbazole
CID 142745661

Frequently Asked Questions

What is the IUPAC name of 9-(6-bromonaphthalen-2-yl)-3,6-ditert-butylcarbazole?
The IUPAC name of 9-(6-bromonaphthalen-2-yl)-3,6-ditert-butylcarbazole (CID 138478846) is 9-(6-bromonaphthalen-2-yl)-3,6-ditert-butylcarbazole.
What is the SMILES notation for 9-(6-bromonaphthalen-2-yl)-3,6-ditert-butylcarbazole?
The canonical SMILES for 9-(6-bromonaphthalen-2-yl)-3,6-ditert-butylcarbazole is CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc2cc(Br)ccc2c1.
What is the InChIKey of 9-(6-bromonaphthalen-2-yl)-3,6-ditert-butylcarbazole?
The InChIKey is YBPAQJCYVJMTBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30BrN/c1-29(2,3)21-9-13-27-25(17-21)26-18-22(30(4,5)6)10-14-28(26)32(27)24-12-8-19-15-23(31)11-7-20(19)16-24/h7-18H,1-6H3.
What are the key properties of 9-(6-bromonaphthalen-2-yl)-3,6-ditert-butylcarbazole?
9-(6-bromonaphthalen-2-yl)-3,6-ditert-butylcarbazole has a molecular weight of 484.48 g/mol, XLogP of 9.29, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(6-bromonaphthalen-2-yl)-3,6-ditert-butylcarbazole is sourced from PubChem (CID 138478846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).