9-phenyl-3,6-bis(2-pyridin-2-ylpropan-2-yl)carbazole

C34H31N3 — CID 153433303

IUPAC9-phenyl-3,6-bis(2-pyridin-2-ylpropan-2-yl)carbazole
SMILESCC(C)(c1ccc2c(c1)c1cc(C(C)(C)c3ccccn3)ccc1n2-c1ccccc1)c1ccccn1
InChIInChI=1S/C34H31N3/c1-33(2,31-14-8-10-20-35-31)24-16-18-29-27(22-24)28-23-25(34(3,4)32-15-9-11-21-36-32)17-19-30(28)37(29)26-12-6-5-7-13-26/h5-23H,1-4H3
InChIKeyIVXSBKWKFGTWAX-UHFFFAOYSA-N
MW481.64 g/mol
LogP8.23
Rot. Bonds5

About 9-phenyl-3,6-bis(2-pyridin-2-ylpropan-2-yl)carbazole

9-phenyl-3,6-bis(2-pyridin-2-ylpropan-2-yl)carbazole (PubChem CID 153433303) has the molecular formula C34H31N3 and a molecular weight of 481.64 g/mol. Its IUPAC name is 9-phenyl-3,6-bis(2-pyridin-2-ylpropan-2-yl)carbazole.

Molecular Properties

Compound Name9-phenyl-3,6-bis(2-pyridin-2-ylpropan-2-yl)carbazole
PubChem CID153433303
Molecular FormulaC34H31N3
Molecular Weight481.64 g/mol
Exact Mass481.25
IUPAC Name9-phenyl-3,6-bis(2-pyridin-2-ylpropan-2-yl)carbazole
SMILESCC(C)(c1ccc2c(c1)c1cc(C(C)(C)c3ccccn3)ccc1n2-c1ccccc1)c1ccccn1
InChIInChI=1S/C34H31N3/c1-33(2,31-14-8-10-20-35-31)24-16-18-29-27(22-24)28-23-25(34(3,4)32-15-9-11-21-36-32)17-19-30(28)37(29)26-12-6-5-7-13-26/h5-23H,1-4H3
InChIKeyIVXSBKWKFGTWAX-UHFFFAOYSA-N
XLogP8.23
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.64
LogP ≤ 58.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-tert-butylcarbazol-9-yl)-6-carbazol-9-yl-9-phenylcarbazole
CID 59399314
10-[4-(6-tert-butyl-9-phenylcarbazol-3-yl)phenyl]phenanthro[9,10-b]pyrazine
CID 88858541
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
3-(9-phenylcarbazol-3-yl)-9-[4-[2-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]propan-2-yl]phenyl]carbazole
CID 176617175
9-(9-phenylcarbazol-3-yl)-3-pyridin-2-yl-6-(trifluoromethyl)carbazole
CID 134343625
2,7-bis(3,6-ditert-butylcarbazol-9-yl)-9-(9-phenylcarbazol-3-yl)carbazole
CID 121355698
5,7-diphenyl-2,10-dipyridin-2-ylindolo[2,3-b]carbazole
CID 130417472
3,6-ditert-butyl-9-(3-carbazol-9-ylphenyl)carbazole
CID 59399108
phenyl-bis(9-phenylcarbazol-3-yl)methanol
CID 15404297
3,6-bis[2-(4-tert-butyl-2-pyridinyl)propan-2-yl]-9-phenyl-4,5-dihydrocarbazole-4,5-diide;platinum(2+)
CID 153433417
9-phenyl-3-pyridin-2-yloxy-6-(2-pyridin-2-ylpropan-2-yl)-4,5-dihydrocarbazole-4,5-diide;platinum(2+)
CID 153433428
triphenyl-[9-phenyl-6-(triphenyl-λ4-sulfanyl)carbazol-3-yl]-λ4-sulfane
CID 138489099

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-3,6-bis(2-pyridin-2-ylpropan-2-yl)carbazole?
The IUPAC name of 9-phenyl-3,6-bis(2-pyridin-2-ylpropan-2-yl)carbazole (CID 153433303) is 9-phenyl-3,6-bis(2-pyridin-2-ylpropan-2-yl)carbazole.
What is the SMILES notation for 9-phenyl-3,6-bis(2-pyridin-2-ylpropan-2-yl)carbazole?
The canonical SMILES for 9-phenyl-3,6-bis(2-pyridin-2-ylpropan-2-yl)carbazole is CC(C)(c1ccc2c(c1)c1cc(C(C)(C)c3ccccn3)ccc1n2-c1ccccc1)c1ccccn1.
What is the InChIKey of 9-phenyl-3,6-bis(2-pyridin-2-ylpropan-2-yl)carbazole?
The InChIKey is IVXSBKWKFGTWAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H31N3/c1-33(2,31-14-8-10-20-35-31)24-16-18-29-27(22-24)28-23-25(34(3,4)32-15-9-11-21-36-32)17-19-30(28)37(29)26-12-6-5-7-13-26/h5-23H,1-4H3.
What are the key properties of 9-phenyl-3,6-bis(2-pyridin-2-ylpropan-2-yl)carbazole?
9-phenyl-3,6-bis(2-pyridin-2-ylpropan-2-yl)carbazole has a molecular weight of 481.64 g/mol, XLogP of 8.23, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-3,6-bis(2-pyridin-2-ylpropan-2-yl)carbazole is sourced from PubChem (CID 153433303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).