9-(5-bromopyrimidin-2-yl)-3,6-ditert-butylcarbazole

C24H26BrN3 — CID 146197640

IUPAC9-(5-bromopyrimidin-2-yl)-3,6-ditert-butylcarbazole
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ncc(Br)cn1
InChIInChI=1S/C24H26BrN3/c1-23(2,3)15-7-9-20-18(11-15)19-12-16(24(4,5)6)8-10-21(19)28(20)22-26-13-17(25)14-27-22/h7-14H,1-6H3
InChIKeyCEDLEWHUMYLOSY-UHFFFAOYSA-N
MW436.40 g/mol
LogP6.93
Rot. Bonds1

About 9-(5-bromopyrimidin-2-yl)-3,6-ditert-butylcarbazole

9-(5-bromopyrimidin-2-yl)-3,6-ditert-butylcarbazole (PubChem CID 146197640) has the molecular formula C24H26BrN3 and a molecular weight of 436.40 g/mol. Its IUPAC name is 9-(5-bromopyrimidin-2-yl)-3,6-ditert-butylcarbazole.

Molecular Properties

Compound Name9-(5-bromopyrimidin-2-yl)-3,6-ditert-butylcarbazole
PubChem CID146197640
Molecular FormulaC24H26BrN3
Molecular Weight436.40 g/mol
Exact Mass435.13
IUPAC Name9-(5-bromopyrimidin-2-yl)-3,6-ditert-butylcarbazole
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ncc(Br)cn1
InChIInChI=1S/C24H26BrN3/c1-23(2,3)15-7-9-20-18(11-15)19-12-16(24(4,5)6)8-10-21(19)28(20)22-26-13-17(25)14-27-22/h7-14H,1-6H3
InChIKeyCEDLEWHUMYLOSY-UHFFFAOYSA-N
XLogP6.93
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.40
LogP ≤ 56.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-(5-bromo-2-pyridinyl)-3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazole
CID 146209381
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CID 139082644
3,6-ditert-butyl-9-(3,5-dibromo-4-chlorophenyl)carbazole
CID 166581837
9-(6-bromonaphthalen-2-yl)-3,6-ditert-butylcarbazole
CID 138478846
3,6-ditert-butyl-9-quinoxalin-2-ylcarbazole
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11-bromo-7-tert-butylimidazo[1,2-f]phenanthridine
CID 154610318
3,6-ditert-butyl-9-[4-[3-(3,6-ditert-butylcarbazol-9-yl)-4-pyridinyl]-3-pyridinyl]carbazole
CID 122433677
6,18-bis(3,6-ditert-butylcarbazol-9-yl)-10,14-dioxa-5,7,17,19-tetrazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene-12-carbonitrile
CID 171441887
3-tert-butyl-9-[4-(3-tert-butylphenyl)-6-carbazol-9-yl-1,3,5-triazin-2-yl]carbazole
CID 170669493
[2-[3-[9-(5-tert-butylpyrimidin-2-yl)carbazol-3-yl]carbazol-9-yl]pyrimidin-5-yl]-trimethyl-λ4-sulfane
CID 167027848
9-[3,5-bis(3-tert-butyl-6-methylcarbazol-9-yl)phenyl]-3-tert-butyl-6-methylcarbazole
CID 59399788
3,6-ditert-butyl-9-[3-(3,6-ditert-butylcarbazol-9-yl)-5-iodophenyl]carbazole
CID 167114372

Frequently Asked Questions

What is the IUPAC name of 9-(5-bromopyrimidin-2-yl)-3,6-ditert-butylcarbazole?
The IUPAC name of 9-(5-bromopyrimidin-2-yl)-3,6-ditert-butylcarbazole (CID 146197640) is 9-(5-bromopyrimidin-2-yl)-3,6-ditert-butylcarbazole.
What is the SMILES notation for 9-(5-bromopyrimidin-2-yl)-3,6-ditert-butylcarbazole?
The canonical SMILES for 9-(5-bromopyrimidin-2-yl)-3,6-ditert-butylcarbazole is CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ncc(Br)cn1.
What is the InChIKey of 9-(5-bromopyrimidin-2-yl)-3,6-ditert-butylcarbazole?
The InChIKey is CEDLEWHUMYLOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26BrN3/c1-23(2,3)15-7-9-20-18(11-15)19-12-16(24(4,5)6)8-10-21(19)28(20)22-26-13-17(25)14-27-22/h7-14H,1-6H3.
What are the key properties of 9-(5-bromopyrimidin-2-yl)-3,6-ditert-butylcarbazole?
9-(5-bromopyrimidin-2-yl)-3,6-ditert-butylcarbazole has a molecular weight of 436.40 g/mol, XLogP of 6.93, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(5-bromopyrimidin-2-yl)-3,6-ditert-butylcarbazole is sourced from PubChem (CID 146197640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).