1-tert-butyl-4-[4-(4-tert-butylcarbazol-9-yl)phenyl]-9-phenylcarbazole

C44H40N2 — CID 170242275

IUPAC1-tert-butyl-4-[4-(4-tert-butylcarbazol-9-yl)phenyl]-9-phenylcarbazole
SMILESCC(C)(C)c1cccc2c1c1ccccc1n2-c1ccc(-c2ccc(C(C)(C)C)c3c2c2ccccc2n3-c2ccccc2)cc1
InChIInChI=1S/C44H40N2/c1-43(2,3)35-19-14-22-39-41(35)34-18-11-12-20-37(34)45(39)31-25-23-29(24-26-31)32-27-28-36(44(4,5)6)42-40(32)33-17-10-13-21-38(33)46(42)30-15-8-7-9-16-30/h7-28H,1-6H3
InChIKeyBDTQHOVARPZEGD-UHFFFAOYSA-N
MW596.82 g/mol
LogP12.14
Rot. Bonds3

About 1-tert-butyl-4-[4-(4-tert-butylcarbazol-9-yl)phenyl]-9-phenylcarbazole

1-tert-butyl-4-[4-(4-tert-butylcarbazol-9-yl)phenyl]-9-phenylcarbazole (PubChem CID 170242275) has the molecular formula C44H40N2 and a molecular weight of 596.82 g/mol. Its IUPAC name is 1-tert-butyl-4-[4-(4-tert-butylcarbazol-9-yl)phenyl]-9-phenylcarbazole.

Molecular Properties

Compound Name1-tert-butyl-4-[4-(4-tert-butylcarbazol-9-yl)phenyl]-9-phenylcarbazole
PubChem CID170242275
Molecular FormulaC44H40N2
Molecular Weight596.82 g/mol
Exact Mass596.32
IUPAC Name1-tert-butyl-4-[4-(4-tert-butylcarbazol-9-yl)phenyl]-9-phenylcarbazole
SMILESCC(C)(C)c1cccc2c1c1ccccc1n2-c1ccc(-c2ccc(C(C)(C)C)c3c2c2ccccc2n3-c2ccccc2)cc1
InChIInChI=1S/C44H40N2/c1-43(2,3)35-19-14-22-39-41(35)34-18-11-12-20-37(34)45(39)31-25-23-29(24-26-31)32-27-28-36(44(4,5)6)42-40(32)33-17-10-13-21-38(33)46(42)30-15-8-7-9-16-30/h7-28H,1-6H3
InChIKeyBDTQHOVARPZEGD-UHFFFAOYSA-N
XLogP12.14
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.82
LogP ≤ 512.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-ditert-butyl-9-phenylcarbazole
CID 169010323
4-tert-butyl-14-phenyl-9-[2-(9-phenylcarbazol-3-yl)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 176824227
4-phenyl-9-[2-[4-(9-phenylcarbazol-4-yl)phenyl]phenyl]carbazole
CID 166037163
3,4-ditert-butyl-9-phenylcarbazole
CID 146578967
9-[4-(4-tert-butylphenyl)phenyl]-3-[3-[9-[4-(4-tert-butylphenyl)phenyl]-8-carbazol-9-ylcarbazol-3-yl]carbazol-9-yl]-6-[6-[9-[4-(2-tert-butylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazol-3-yl]carbazole
CID 167259143
15,15-dimethyl-6-phenyl-24-(4-phenylphenyl)-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene
CID 134313392
1,9-diphenyl-4-[3-[2-(3-phenylcarbazol-9-yl)phenyl]phenyl]carbazole
CID 166037080
3-(2-tert-butylphenyl)-9-phenylcarbazole
CID 165169210
5-(4-tert-butylphenyl)-7-phenylbenzo[c]carbazole
CID 70836954
9,17-bis[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14(19),15,17-nonaene
CID 164795638
3,9-diphenyl-4-(9-phenylcarbazol-1-yl)carbazole
CID 90321729
5,9-diphenyl-3-(9-phenylcarbazol-3-yl)carbazole;5-phenyl-3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 160685377

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[4-(4-tert-butylcarbazol-9-yl)phenyl]-9-phenylcarbazole?
The IUPAC name of 1-tert-butyl-4-[4-(4-tert-butylcarbazol-9-yl)phenyl]-9-phenylcarbazole (CID 170242275) is 1-tert-butyl-4-[4-(4-tert-butylcarbazol-9-yl)phenyl]-9-phenylcarbazole.
What is the SMILES notation for 1-tert-butyl-4-[4-(4-tert-butylcarbazol-9-yl)phenyl]-9-phenylcarbazole?
The canonical SMILES for 1-tert-butyl-4-[4-(4-tert-butylcarbazol-9-yl)phenyl]-9-phenylcarbazole is CC(C)(C)c1cccc2c1c1ccccc1n2-c1ccc(-c2ccc(C(C)(C)C)c3c2c2ccccc2n3-c2ccccc2)cc1.
What is the InChIKey of 1-tert-butyl-4-[4-(4-tert-butylcarbazol-9-yl)phenyl]-9-phenylcarbazole?
The InChIKey is BDTQHOVARPZEGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H40N2/c1-43(2,3)35-19-14-22-39-41(35)34-18-11-12-20-37(34)45(39)31-25-23-29(24-26-31)32-27-28-36(44(4,5)6)42-40(32)33-17-10-13-21-38(33)46(42)30-15-8-7-9-16-30/h7-28H,1-6H3.
What are the key properties of 1-tert-butyl-4-[4-(4-tert-butylcarbazol-9-yl)phenyl]-9-phenylcarbazole?
1-tert-butyl-4-[4-(4-tert-butylcarbazol-9-yl)phenyl]-9-phenylcarbazole has a molecular weight of 596.82 g/mol, XLogP of 12.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[4-(4-tert-butylcarbazol-9-yl)phenyl]-9-phenylcarbazole is sourced from PubChem (CID 170242275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).