7-tert-butyl-4-(11-tert-butylbenzo[a]carbazol-8-yl)benzo[c]carbazole

C40H36N2 — CID 134255586

IUPAC7-tert-butyl-4-(11-tert-butylbenzo[a]carbazol-8-yl)benzo[c]carbazole
SMILESCC(C)(C)n1c2ccccc2c2c3cccc(-c4ccc5c(c4)c4ccc6ccccc6c4n5C(C)(C)C)c3ccc21
InChIInChI=1S/C40H36N2/c1-39(2,3)41-34-17-10-9-14-32(34)37-30-16-11-15-27(29(30)21-23-36(37)41)26-19-22-35-33(24-26)31-20-18-25-12-7-8-13-28(25)38(31)42(35)40(4,5)6/h7-24H,1-6H3
InChIKeyGJNAUBAMDPKUIP-UHFFFAOYSA-N
MW544.74 g/mol
LogP11.39
Rot. Bonds1

About 7-tert-butyl-4-(11-tert-butylbenzo[a]carbazol-8-yl)benzo[c]carbazole

7-tert-butyl-4-(11-tert-butylbenzo[a]carbazol-8-yl)benzo[c]carbazole (PubChem CID 134255586) has the molecular formula C40H36N2 and a molecular weight of 544.74 g/mol. Its IUPAC name is 7-tert-butyl-4-(11-tert-butylbenzo[a]carbazol-8-yl)benzo[c]carbazole.

Molecular Properties

Compound Name7-tert-butyl-4-(11-tert-butylbenzo[a]carbazol-8-yl)benzo[c]carbazole
PubChem CID134255586
Molecular FormulaC40H36N2
Molecular Weight544.74 g/mol
Exact Mass544.29
IUPAC Name7-tert-butyl-4-(11-tert-butylbenzo[a]carbazol-8-yl)benzo[c]carbazole
SMILESCC(C)(C)n1c2ccccc2c2c3cccc(-c4ccc5c(c4)c4ccc6ccccc6c4n5C(C)(C)C)c3ccc21
InChIInChI=1S/C40H36N2/c1-39(2,3)41-34-17-10-9-14-32(34)37-30-16-11-15-27(29(30)21-23-36(37)41)26-19-22-35-33(24-26)31-20-18-25-12-7-8-13-28(25)38(31)42(35)40(4,5)6/h7-24H,1-6H3
InChIKeyGJNAUBAMDPKUIP-UHFFFAOYSA-N
XLogP11.39
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.74
LogP ≤ 511.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 175620514
11-tert-butyl-9-(10-naphthalen-1-ylanthracen-9-yl)benzo[a]carbazole
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2,7-dinaphthalen-1-ylbenzo[c]carbazole
CID 130351339
9,21-dimethyl-6,18-dinaphthalen-1-yl-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene
CID 59182288
11-methyl-8-pyren-1-ylbenzo[a]carbazole
CID 58410605
11-[4-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[a]carbazole
CID 144568635
9,24-ditert-butyl-9,24-diazaoctacyclo[13.13.2.02,10.03,8.012,29.017,25.018,23.026,30]triaconta-1(29),2(10),3,5,7,11,13,15,17(25),18,20,22,26(30),27-tetradecaene
CID 118133870
12-phenyl-7-(9-phenylcarbazol-3-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene
CID 121246518
2-(6-naphthalen-1-ylnaphthalen-2-yl)-7-phenylbenzo[c]carbazole
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9-tert-butyl-3-[11-(4-naphthalen-1-ylphenyl)naphtho[2,3-b][1]benzofuran-6-yl]carbazole
CID 176777823
7-(4-methylphenyl)-9-naphthalen-1-ylbenzo[c]carbazole
CID 139298795
9-naphthalen-1-yl-7-[5-(9-naphthalen-1-ylbenzo[c]carbazol-7-yl)benzo[c]phenanthren-8-yl]benzo[c]carbazole
CID 59156237

Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-4-(11-tert-butylbenzo[a]carbazol-8-yl)benzo[c]carbazole?
The IUPAC name of 7-tert-butyl-4-(11-tert-butylbenzo[a]carbazol-8-yl)benzo[c]carbazole (CID 134255586) is 7-tert-butyl-4-(11-tert-butylbenzo[a]carbazol-8-yl)benzo[c]carbazole.
What is the SMILES notation for 7-tert-butyl-4-(11-tert-butylbenzo[a]carbazol-8-yl)benzo[c]carbazole?
The canonical SMILES for 7-tert-butyl-4-(11-tert-butylbenzo[a]carbazol-8-yl)benzo[c]carbazole is CC(C)(C)n1c2ccccc2c2c3cccc(-c4ccc5c(c4)c4ccc6ccccc6c4n5C(C)(C)C)c3ccc21.
What is the InChIKey of 7-tert-butyl-4-(11-tert-butylbenzo[a]carbazol-8-yl)benzo[c]carbazole?
The InChIKey is GJNAUBAMDPKUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H36N2/c1-39(2,3)41-34-17-10-9-14-32(34)37-30-16-11-15-27(29(30)21-23-36(37)41)26-19-22-35-33(24-26)31-20-18-25-12-7-8-13-28(25)38(31)42(35)40(4,5)6/h7-24H,1-6H3.
What are the key properties of 7-tert-butyl-4-(11-tert-butylbenzo[a]carbazol-8-yl)benzo[c]carbazole?
7-tert-butyl-4-(11-tert-butylbenzo[a]carbazol-8-yl)benzo[c]carbazole has a molecular weight of 544.74 g/mol, XLogP of 11.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-4-(11-tert-butylbenzo[a]carbazol-8-yl)benzo[c]carbazole is sourced from PubChem (CID 134255586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).