4-(11-tert-butylbenzo[a]carbazol-8-yl)-7-[1-[6-(4-tert-butylphenyl)triphenylen-2-yl]-2-methylpropan-2-yl]benzo[c]carbazole

C68H58N2 — CID 175620514

IUPAC4-(11-tert-butylbenzo[a]carbazol-8-yl)-7-[1-[6-(4-tert-butylphenyl)triphenylen-2-yl]-2-methylpropan-2-yl]benzo[c]carbazole
SMILESCC(C)(C)c1ccc(-c2ccc3c4ccccc4c4cc(CC(C)(C)n5c6ccccc6c6c7cccc(-c8ccc9c(c8)c8ccc%10ccccc%10c8n9C(C)(C)C)c7ccc65)ccc4c3c2)cc1
InChIInChI=1S/C68H58N2/c1-66(2,3)47-30-25-43(26-31-47)45-28-33-53-50-18-11-12-19-51(50)58-38-42(24-32-54(58)59(53)39-45)41-68(7,8)69-61-23-14-13-20-57(61)64-55-22-15-21-48(52(55)35-37-63(64)69)46-29-36-62-60(40-46)56-34-27-44-16-9-10-17-49(44)65(56)70(62)67(4,5)6/h9-40H,41H2,1-8H3
InChIKeyKEHLGQJSCPDGEZ-UHFFFAOYSA-N
MW903.23 g/mol
LogP19.03
Rot. Bonds5

About 4-(11-tert-butylbenzo[a]carbazol-8-yl)-7-[1-[6-(4-tert-butylphenyl)triphenylen-2-yl]-2-methylpropan-2-yl]benzo[c]carbazole

4-(11-tert-butylbenzo[a]carbazol-8-yl)-7-[1-[6-(4-tert-butylphenyl)triphenylen-2-yl]-2-methylpropan-2-yl]benzo[c]carbazole (PubChem CID 175620514) has the molecular formula C68H58N2 and a molecular weight of 903.23 g/mol. Its IUPAC name is 4-(11-tert-butylbenzo[a]carbazol-8-yl)-7-[1-[6-(4-tert-butylphenyl)triphenylen-2-yl]-2-methylpropan-2-yl]benzo[c]carbazole.

Molecular Properties

Compound Name4-(11-tert-butylbenzo[a]carbazol-8-yl)-7-[1-[6-(4-tert-butylphenyl)triphenylen-2-yl]-2-methylpropan-2-yl]benzo[c]carbazole
PubChem CID175620514
Molecular FormulaC68H58N2
Molecular Weight903.23 g/mol
Exact Mass902.46
IUPAC Name4-(11-tert-butylbenzo[a]carbazol-8-yl)-7-[1-[6-(4-tert-butylphenyl)triphenylen-2-yl]-2-methylpropan-2-yl]benzo[c]carbazole
SMILESCC(C)(C)c1ccc(-c2ccc3c4ccccc4c4cc(CC(C)(C)n5c6ccccc6c6c7cccc(-c8ccc9c(c8)c8ccc%10ccccc%10c8n9C(C)(C)C)c7ccc65)ccc4c3c2)cc1
InChIInChI=1S/C68H58N2/c1-66(2,3)47-30-25-43(26-31-47)45-28-33-53-50-18-11-12-19-51(50)58-38-42(24-32-54(58)59(53)39-45)41-68(7,8)69-61-23-14-13-20-57(61)64-55-22-15-21-48(52(55)35-37-63(64)69)46-29-36-62-60(40-46)56-34-27-44-16-9-10-17-49(44)65(56)70(62)67(4,5)6/h9-40H,41H2,1-8H3
InChIKeyKEHLGQJSCPDGEZ-UHFFFAOYSA-N
XLogP19.03
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500903.23
LogP ≤ 519.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

7-tert-butyl-4-(11-tert-butylbenzo[a]carbazol-8-yl)benzo[c]carbazole
CID 134255586
1-(4-tert-butylphenyl)phenanthrene
CID 160779403
11-tert-butyl-9-(10-naphthalen-1-ylanthracen-9-yl)benzo[a]carbazole
CID 176777726
11-(4-tert-butylphenyl)benzo[a]carbazole;7-(4-tert-butylphenyl)benzo[c]carbazole;bis(9-(4-tert-butylphenyl)carbazole);2-(3-tert-butylphenyl)-9-phenylcarbazole;3-(3-tert-butylphenyl)-9-phenylcarbazole
CID 158107015
11-methyl-8-pyren-1-ylbenzo[a]carbazole
CID 58410605
7-tert-butyl-1-(6-phenanthren-1-ylnaphthalen-2-yl)pyrene
CID 59629654
9-naphthalen-1-yl-3-(3-naphthalen-1-ylphenyl)carbazole;9-naphthalen-1-yl-3-(3-naphthalen-2-ylphenyl)carbazole;9-naphthalen-1-yl-3-(4-triphenylen-2-ylphenyl)carbazole
CID 158894954
2,7-dinaphthalen-1-ylbenzo[c]carbazole
CID 130351339
2-[4-(7-naphthalen-1-ylnaphthalen-2-yl)phenyl]triphenylene
CID 123541562
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
1,6-bis(4-tert-butylphenyl)-3,8-bis(4-naphthalen-1-ylphenyl)pyrene
CID 59391221
2-(6-naphthalen-1-ylnaphthalen-2-yl)-7-phenylbenzo[c]carbazole
CID 130351342

Frequently Asked Questions

What is the IUPAC name of 4-(11-tert-butylbenzo[a]carbazol-8-yl)-7-[1-[6-(4-tert-butylphenyl)triphenylen-2-yl]-2-methylpropan-2-yl]benzo[c]carbazole?
The IUPAC name of 4-(11-tert-butylbenzo[a]carbazol-8-yl)-7-[1-[6-(4-tert-butylphenyl)triphenylen-2-yl]-2-methylpropan-2-yl]benzo[c]carbazole (CID 175620514) is 4-(11-tert-butylbenzo[a]carbazol-8-yl)-7-[1-[6-(4-tert-butylphenyl)triphenylen-2-yl]-2-methylpropan-2-yl]benzo[c]carbazole.
What is the SMILES notation for 4-(11-tert-butylbenzo[a]carbazol-8-yl)-7-[1-[6-(4-tert-butylphenyl)triphenylen-2-yl]-2-methylpropan-2-yl]benzo[c]carbazole?
The canonical SMILES for 4-(11-tert-butylbenzo[a]carbazol-8-yl)-7-[1-[6-(4-tert-butylphenyl)triphenylen-2-yl]-2-methylpropan-2-yl]benzo[c]carbazole is CC(C)(C)c1ccc(-c2ccc3c4ccccc4c4cc(CC(C)(C)n5c6ccccc6c6c7cccc(-c8ccc9c(c8)c8ccc%10ccccc%10c8n9C(C)(C)C)c7ccc65)ccc4c3c2)cc1.
What is the InChIKey of 4-(11-tert-butylbenzo[a]carbazol-8-yl)-7-[1-[6-(4-tert-butylphenyl)triphenylen-2-yl]-2-methylpropan-2-yl]benzo[c]carbazole?
The InChIKey is KEHLGQJSCPDGEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H58N2/c1-66(2,3)47-30-25-43(26-31-47)45-28-33-53-50-18-11-12-19-51(50)58-38-42(24-32-54(58)59(53)39-45)41-68(7,8)69-61-23-14-13-20-57(61)64-55-22-15-21-48(52(55)35-37-63(64)69)46-29-36-62-60(40-46)56-34-27-44-16-9-10-17-49(44)65(56)70(62)67(4,5)6/h9-40H,41H2,1-8H3.
What are the key properties of 4-(11-tert-butylbenzo[a]carbazol-8-yl)-7-[1-[6-(4-tert-butylphenyl)triphenylen-2-yl]-2-methylpropan-2-yl]benzo[c]carbazole?
4-(11-tert-butylbenzo[a]carbazol-8-yl)-7-[1-[6-(4-tert-butylphenyl)triphenylen-2-yl]-2-methylpropan-2-yl]benzo[c]carbazole has a molecular weight of 903.23 g/mol, XLogP of 19.03, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(11-tert-butylbenzo[a]carbazol-8-yl)-7-[1-[6-(4-tert-butylphenyl)triphenylen-2-yl]-2-methylpropan-2-yl]benzo[c]carbazole is sourced from PubChem (CID 175620514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).