3-tert-butyl-9-[3-[3-(3-tert-butyl-3-methyl-4H-carbazol-9-yl)phenyl]phenyl]carbazole

C45H44N2 — CID 123897141

IUPAC3-tert-butyl-9-[3-[3-(3-tert-butyl-3-methyl-4H-carbazol-9-yl)phenyl]phenyl]carbazole
SMILESCC(C)(C)c1ccc2c(c1)c1ccccc1n2-c1cccc(-c2cccc(-n3c4c(c5ccccc53)CC(C)(C(C)(C)C)C=C4)c2)c1
InChIInChI=1S/C45H44N2/c1-43(2,3)32-22-23-41-37(28-32)35-18-8-10-20-39(35)46(41)33-16-12-14-30(26-33)31-15-13-17-34(27-31)47-40-21-11-9-19-36(40)38-29-45(7,44(4,5)6)25-24-42(38)47/h8-28H,29H2,1-7H3
InChIKeySCBDFPXQIIDJGP-UHFFFAOYSA-N
MW612.86 g/mol
LogP12.31
Rot. Bonds3

About 3-tert-butyl-9-[3-[3-(3-tert-butyl-3-methyl-4H-carbazol-9-yl)phenyl]phenyl]carbazole

3-tert-butyl-9-[3-[3-(3-tert-butyl-3-methyl-4H-carbazol-9-yl)phenyl]phenyl]carbazole (PubChem CID 123897141) has the molecular formula C45H44N2 and a molecular weight of 612.86 g/mol. Its IUPAC name is 3-tert-butyl-9-[3-[3-(3-tert-butyl-3-methyl-4H-carbazol-9-yl)phenyl]phenyl]carbazole.

Molecular Properties

Compound Name3-tert-butyl-9-[3-[3-(3-tert-butyl-3-methyl-4H-carbazol-9-yl)phenyl]phenyl]carbazole
PubChem CID123897141
Molecular FormulaC45H44N2
Molecular Weight612.86 g/mol
Exact Mass612.35
IUPAC Name3-tert-butyl-9-[3-[3-(3-tert-butyl-3-methyl-4H-carbazol-9-yl)phenyl]phenyl]carbazole
SMILESCC(C)(C)c1ccc2c(c1)c1ccccc1n2-c1cccc(-c2cccc(-n3c4c(c5ccccc53)CC(C)(C(C)(C)C)C=C4)c2)c1
InChIInChI=1S/C45H44N2/c1-43(2,3)32-22-23-41-37(28-32)35-18-8-10-20-39(35)46(41)33-16-12-14-30(26-33)31-15-13-17-34(27-31)47-40-21-11-9-19-36(40)38-29-45(7,44(4,5)6)25-24-42(38)47/h8-28H,29H2,1-7H3
InChIKeySCBDFPXQIIDJGP-UHFFFAOYSA-N
XLogP12.31
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.86
LogP ≤ 512.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-tert-butyl-9-[3-(3-carbazol-9-ylphenyl)phenyl]-6-tritylcarbazole
CID 142391271
3-[9-[3-[3-(4-tert-butylphenyl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 167259635
9-[3-(3-carbazol-9-ylphenyl)phenyl]-3-(1,1,1-trideuterio-2-methylpropan-2-yl)carbazole
CID 88594409
3,6-ditert-butyl-9-(3-carbazol-9-ylphenyl)carbazole
CID 59399108
2-[9-(3,5-diphenylphenyl)-3-methyl-4H-carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 144884866
9-phenyl-3-[9-(3-phenylphenyl)carbazol-3-yl]-6-tritylcarbazole
CID 130230832
3-(3-tert-butylcarbazol-9-yl)-5-[3-(6-tert-butyl-3,4-dihydrocarbazol-9-yl)phenyl]benzonitrile
CID 163851325
2-tert-butyl-9-[3-[3-(2-tert-butylcarbazol-9-yl)-5-carbazol-9-ylphenyl]phenyl]carbazole
CID 59501634
9-[3-[3,5-bis(3-tert-butylcarbazol-9-yl)phenyl]-5-(3-tert-butylcarbazol-9-yl)phenyl]-3-tert-butylcarbazole;3-tert-butyl-9-[3-[3-(3-tert-butylcarbazol-9-yl)-5-carbazol-9-ylphenyl]phenyl]carbazole;3-tert-butyl-9-[3-[3-(3-tert-butylcarbazol-9-yl)phenyl]phenyl]carbazole;3-(2-cyclohexylpropan-2-yl)-9-[3-[3-(2-cyclohexylpropan-2-yl)carbazol-9-yl]-5-phenylphenyl]carbazole
CID 159682927
3-tert-butyl-6-deuterio-9-[3-[3-(3,6-dideuteriocarbazol-9-yl)phenyl]phenyl]carbazole
CID 59399854
9-[3-carbazol-9-yl-5-[3,5-di(carbazol-9-yl)phenyl]phenyl]carbazole;9-(3-carbazol-9-ylphenyl)carbazole;9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole;3,6-ditert-butyl-9-[4-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenyl]carbazole;9-[3,5-di(carbazol-9-yl)phenyl]-3-tritylcarbazole
CID 159638149
3,6-ditert-butyl-9-[3-[3-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenyl]carbazole;9-[3-[3-(3,6-difluorocarbazol-9-yl)phenyl]phenyl]-3,6-difluorocarbazole;9-[3-[3-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-3,6-diphenylcarbazole
CID 158767431

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-9-[3-[3-(3-tert-butyl-3-methyl-4H-carbazol-9-yl)phenyl]phenyl]carbazole?
The IUPAC name of 3-tert-butyl-9-[3-[3-(3-tert-butyl-3-methyl-4H-carbazol-9-yl)phenyl]phenyl]carbazole (CID 123897141) is 3-tert-butyl-9-[3-[3-(3-tert-butyl-3-methyl-4H-carbazol-9-yl)phenyl]phenyl]carbazole.
What is the SMILES notation for 3-tert-butyl-9-[3-[3-(3-tert-butyl-3-methyl-4H-carbazol-9-yl)phenyl]phenyl]carbazole?
The canonical SMILES for 3-tert-butyl-9-[3-[3-(3-tert-butyl-3-methyl-4H-carbazol-9-yl)phenyl]phenyl]carbazole is CC(C)(C)c1ccc2c(c1)c1ccccc1n2-c1cccc(-c2cccc(-n3c4c(c5ccccc53)CC(C)(C(C)(C)C)C=C4)c2)c1.
What is the InChIKey of 3-tert-butyl-9-[3-[3-(3-tert-butyl-3-methyl-4H-carbazol-9-yl)phenyl]phenyl]carbazole?
The InChIKey is SCBDFPXQIIDJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H44N2/c1-43(2,3)32-22-23-41-37(28-32)35-18-8-10-20-39(35)46(41)33-16-12-14-30(26-33)31-15-13-17-34(27-31)47-40-21-11-9-19-36(40)38-29-45(7,44(4,5)6)25-24-42(38)47/h8-28H,29H2,1-7H3.
What are the key properties of 3-tert-butyl-9-[3-[3-(3-tert-butyl-3-methyl-4H-carbazol-9-yl)phenyl]phenyl]carbazole?
3-tert-butyl-9-[3-[3-(3-tert-butyl-3-methyl-4H-carbazol-9-yl)phenyl]phenyl]carbazole has a molecular weight of 612.86 g/mol, XLogP of 12.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-9-[3-[3-(3-tert-butyl-3-methyl-4H-carbazol-9-yl)phenyl]phenyl]carbazole is sourced from PubChem (CID 123897141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).