1-tert-butyl-2-(9H-fluoren-9-yl)-9-phenylcarbazole

C35H29N — CID 170420697

IUPAC1-tert-butyl-2-(9H-fluoren-9-yl)-9-phenylcarbazole
SMILESCC(C)(C)c1c(C2c3ccccc3-c3ccccc32)ccc2c3ccccc3n(-c3ccccc3)c12
InChIInChI=1S/C35H29N/c1-35(2,3)33-30(32-27-18-9-7-15-24(27)25-16-8-10-19-28(25)32)22-21-29-26-17-11-12-20-31(26)36(34(29)33)23-13-5-4-6-14-23/h4-22,32H,1-3H3
InChIKeyHASJOMQOAXKBHS-UHFFFAOYSA-N
MW463.62 g/mol
LogP9.24
Rot. Bonds2

About 1-tert-butyl-2-(9H-fluoren-9-yl)-9-phenylcarbazole

1-tert-butyl-2-(9H-fluoren-9-yl)-9-phenylcarbazole (PubChem CID 170420697) has the molecular formula C35H29N and a molecular weight of 463.62 g/mol. Its IUPAC name is 1-tert-butyl-2-(9H-fluoren-9-yl)-9-phenylcarbazole.

Molecular Properties

Compound Name1-tert-butyl-2-(9H-fluoren-9-yl)-9-phenylcarbazole
PubChem CID170420697
Molecular FormulaC35H29N
Molecular Weight463.62 g/mol
Exact Mass463.23
IUPAC Name1-tert-butyl-2-(9H-fluoren-9-yl)-9-phenylcarbazole
SMILESCC(C)(C)c1c(C2c3ccccc3-c3ccccc32)ccc2c3ccccc3n(-c3ccccc3)c12
InChIInChI=1S/C35H29N/c1-35(2,3)33-30(32-27-18-9-7-15-24(27)25-16-8-10-19-28(25)32)22-21-29-26-17-11-12-20-31(26)36(34(29)33)23-13-5-4-6-14-23/h4-22,32H,1-3H3
InChIKeyHASJOMQOAXKBHS-UHFFFAOYSA-N
XLogP9.24
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.62
LogP ≤ 59.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-carbazol-9-yl-5-[2-(9H-fluoren-9-yl)phenyl]-9-phenylcarbazole
CID 166002984
12-(3-tert-butylphenyl)-11-phenylindolo[2,3-a]carbazole
CID 170268517
11-phenyl-12-[2-[2-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]phenyl]indolo[2,3-a]carbazole
CID 126652554
15-(4-tert-butylphenyl)-4,26-diphenyl-4,15,26-triazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene
CID 176965488
12-methyl-1,11-diphenylindolo[2,3-a]carbazole
CID 176615335
9-phenyl-3-[3-(9-phenylcarbazol-3-yl)-9H-fluoren-9-yl]carbazole
CID 118423662
4-phenyl-1,4-diazaoctacyclo[19.10.1.02,14.03,11.05,10.015,20.025,32.026,31]dotriaconta-2(14),3(11),5,7,9,12,15,17,19,21,23,25(32),26,28,30-pentadecaene
CID 126699842
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[4-(9H-fluoren-9-yl)phenyl]indolo[2,3-a]carbazole
CID 170268470
12-phenyl-7-[6-[3-(4-phenylphenyl)phenyl]dibenzofuran-4-yl]-7H-indeno[1,2-a]carbazole
CID 118349912
1-[4-(2-methylphenyl)phenyl]-9-phenylcarbazole
CID 146397378
2,9-diphenyl-1-(9-phenylcarbazol-1-yl)carbazole
CID 90348691
1-(3,5-dimethylphenyl)-9-phenylcarbazole
CID 169054866

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-(9H-fluoren-9-yl)-9-phenylcarbazole?
The IUPAC name of 1-tert-butyl-2-(9H-fluoren-9-yl)-9-phenylcarbazole (CID 170420697) is 1-tert-butyl-2-(9H-fluoren-9-yl)-9-phenylcarbazole.
What is the SMILES notation for 1-tert-butyl-2-(9H-fluoren-9-yl)-9-phenylcarbazole?
The canonical SMILES for 1-tert-butyl-2-(9H-fluoren-9-yl)-9-phenylcarbazole is CC(C)(C)c1c(C2c3ccccc3-c3ccccc32)ccc2c3ccccc3n(-c3ccccc3)c12.
What is the InChIKey of 1-tert-butyl-2-(9H-fluoren-9-yl)-9-phenylcarbazole?
The InChIKey is HASJOMQOAXKBHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H29N/c1-35(2,3)33-30(32-27-18-9-7-15-24(27)25-16-8-10-19-28(25)32)22-21-29-26-17-11-12-20-31(26)36(34(29)33)23-13-5-4-6-14-23/h4-22,32H,1-3H3.
What are the key properties of 1-tert-butyl-2-(9H-fluoren-9-yl)-9-phenylcarbazole?
1-tert-butyl-2-(9H-fluoren-9-yl)-9-phenylcarbazole has a molecular weight of 463.62 g/mol, XLogP of 9.24, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-(9H-fluoren-9-yl)-9-phenylcarbazole is sourced from PubChem (CID 170420697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).