3,6-ditert-butyl-9-(9H-fluoren-2-yl)carbazole

C33H33N — CID 158328553

IUPAC3,6-ditert-butyl-9-(9H-fluoren-2-yl)carbazole
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C33H33N/c1-32(2,3)23-11-15-30-28(19-23)29-20-24(33(4,5)6)12-16-31(29)34(30)25-13-14-27-22(18-25)17-21-9-7-8-10-26(21)27/h7-16,18-20H,17H2,1-6H3
InChIKeyFMCMMVWRZVODLL-UHFFFAOYSA-N
MW443.63 g/mol
LogP8.95
Rot. Bonds1

About 3,6-ditert-butyl-9-(9H-fluoren-2-yl)carbazole

3,6-ditert-butyl-9-(9H-fluoren-2-yl)carbazole (PubChem CID 158328553) has the molecular formula C33H33N and a molecular weight of 443.63 g/mol. Its IUPAC name is 3,6-ditert-butyl-9-(9H-fluoren-2-yl)carbazole.

Molecular Properties

Compound Name3,6-ditert-butyl-9-(9H-fluoren-2-yl)carbazole
PubChem CID158328553
Molecular FormulaC33H33N
Molecular Weight443.63 g/mol
Exact Mass443.26
IUPAC Name3,6-ditert-butyl-9-(9H-fluoren-2-yl)carbazole
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C33H33N/c1-32(2,3)23-11-15-30-28(19-23)29-20-24(33(4,5)6)12-16-31(29)34(30)25-13-14-27-22(18-25)17-21-9-7-8-10-26(21)27/h7-16,18-20H,17H2,1-6H3
InChIKeyFMCMMVWRZVODLL-UHFFFAOYSA-N
XLogP8.95
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.63
LogP ≤ 58.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9-[4-(6-tert-butyl-9H-fluoren-3-yl)phenyl]carbazole
CID 157409455
9-(9H-fluoren-2-yl)-3,6-bis(4-naphthalen-1-ylphenyl)carbazole
CID 118475206
2-[9-(9H-fluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 121241600
10-tert-butyl-5-phenyl-7H-indeno[2,1-b]carbazole
CID 58489669
3,6-di(phenanthren-9-yl)-9-(7-phenanthren-9-yl-9H-fluoren-2-yl)carbazole
CID 118475131
9-[4-(9H-fluoren-3-yl)phenyl]-3-methyl-6-(trifluoromethyl)carbazole
CID 159939100
9-[7-(9H-fluoren-2-yl)-9H-fluoren-2-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 170285115
5-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-12H-indeno[1,2-c]carbazole
CID 161288735
3,6-ditert-butyl-9-[4-[9-[4-[9-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]fluoren-9-yl]phenyl]fluoren-9-yl]phenyl]carbazole
CID 91177168
3-tert-butyl-8-carbazol-9-yl-11-phenyl-12H-indeno[2,1-a]carbazole
CID 58489632
3-(3-tert-butylcarbazol-9-yl)-6-carbazol-9-yl-9-phenylcarbazole
CID 59399314
3,6-ditert-butyl-9-(3-carbazol-9-ylphenyl)carbazole
CID 59399108

Frequently Asked Questions

What is the IUPAC name of 3,6-ditert-butyl-9-(9H-fluoren-2-yl)carbazole?
The IUPAC name of 3,6-ditert-butyl-9-(9H-fluoren-2-yl)carbazole (CID 158328553) is 3,6-ditert-butyl-9-(9H-fluoren-2-yl)carbazole.
What is the SMILES notation for 3,6-ditert-butyl-9-(9H-fluoren-2-yl)carbazole?
The canonical SMILES for 3,6-ditert-butyl-9-(9H-fluoren-2-yl)carbazole is CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of 3,6-ditert-butyl-9-(9H-fluoren-2-yl)carbazole?
The InChIKey is FMCMMVWRZVODLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H33N/c1-32(2,3)23-11-15-30-28(19-23)29-20-24(33(4,5)6)12-16-31(29)34(30)25-13-14-27-22(18-25)17-21-9-7-8-10-26(21)27/h7-16,18-20H,17H2,1-6H3.
What are the key properties of 3,6-ditert-butyl-9-(9H-fluoren-2-yl)carbazole?
3,6-ditert-butyl-9-(9H-fluoren-2-yl)carbazole has a molecular weight of 443.63 g/mol, XLogP of 8.95, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-ditert-butyl-9-(9H-fluoren-2-yl)carbazole is sourced from PubChem (CID 158328553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).