12-naphthalen-1-yl-11-[4-(9-phenylcarbazol-2-yl)phenyl]indolo[2,3-a]carbazole

C52H33N3 — CID 134168605

IUPAC12-naphthalen-1-yl-11-[4-(9-phenylcarbazol-2-yl)phenyl]indolo[2,3-a]carbazole
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4ccc(-n5c6ccccc6c6ccc7c8ccccc8n(-c8cccc9ccccc89)c7c65)cc4)cc32)cc1
InChIInChI=1S/C52H33N3/c1-2-15-37(16-3-1)53-47-21-9-6-18-40(47)43-30-27-36(33-50(43)53)34-25-28-38(29-26-34)54-48-22-10-7-19-41(48)44-31-32-45-42-20-8-11-23-49(42)55(52(45)51(44)54)46-24-12-14-35-13-4-5-17-39(35)46/h1-33H
InChIKeyBQGPXEINXQXTQJ-UHFFFAOYSA-N
MW699.86 g/mol
LogP13.80
Rot. Bonds4

About 12-naphthalen-1-yl-11-[4-(9-phenylcarbazol-2-yl)phenyl]indolo[2,3-a]carbazole

12-naphthalen-1-yl-11-[4-(9-phenylcarbazol-2-yl)phenyl]indolo[2,3-a]carbazole (PubChem CID 134168605) has the molecular formula C52H33N3 and a molecular weight of 699.86 g/mol. Its IUPAC name is 12-naphthalen-1-yl-11-[4-(9-phenylcarbazol-2-yl)phenyl]indolo[2,3-a]carbazole.

Molecular Properties

Compound Name12-naphthalen-1-yl-11-[4-(9-phenylcarbazol-2-yl)phenyl]indolo[2,3-a]carbazole
PubChem CID134168605
Molecular FormulaC52H33N3
Molecular Weight699.86 g/mol
Exact Mass699.27
IUPAC Name12-naphthalen-1-yl-11-[4-(9-phenylcarbazol-2-yl)phenyl]indolo[2,3-a]carbazole
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4ccc(-n5c6ccccc6c6ccc7c8ccccc8n(-c8cccc9ccccc89)c7c65)cc4)cc32)cc1
InChIInChI=1S/C52H33N3/c1-2-15-37(16-3-1)53-47-21-9-6-18-40(47)43-30-27-36(33-50(43)53)34-25-28-38(29-26-34)54-48-22-10-7-19-41(48)44-31-32-45-42-20-8-11-23-49(42)55(52(45)51(44)54)46-24-12-14-35-13-4-5-17-39(35)46/h1-33H
InChIKeyBQGPXEINXQXTQJ-UHFFFAOYSA-N
XLogP13.80
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500699.86
LogP ≤ 513.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(9-naphthalen-1-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 142356851
11-phenyl-12-[4-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]indolo[2,3-a]carbazole
CID 134168606
5-naphthalen-1-yl-12-[4-(9-phenylcarbazol-3-yl)phenyl]indolo[3,2-c]carbazole
CID 134168763
2-[9-(3,5-diphenylphenyl)carbazol-2-yl]-9-naphthalen-1-ylcarbazole
CID 146262895
4-[4-[3-[4-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]carbazol-9-yl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 118179733
9,14-dinaphthalen-2-yl-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;9-naphthalen-1-yl-14-naphthalen-2-yl-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;12-naphthalen-2-yl-11-(4-naphthalen-2-ylphenyl)indolo[2,3-a]carbazole;12-(6-naphthalen-2-ylnaphthalen-2-yl)-11-phenylindolo[2,3-a]carbazole;12-naphthalen-2-yl-11-[4-(4-naphthalen-2-ylphenyl)phenyl]indolo[2,3-a]carbazole;9-naphthalen-2-yl-14-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;12-(3-naphthalen-2-ylphenyl)-11-[4-(4-phenylphenyl)phenyl]indolo[2,3-a]carbazole;12-(4-naphthalen-2-ylphenyl)-11-[4-(4-phenylphenyl)phenyl]indolo[2,3-a]carbazole;12-[4-(6-phenylnaphthalen-2-yl)phenyl]-11-(4-phenylphenyl)indolo[2,3-a]carbazole;12-(6-phenylnaphthalen-2-yl)-11-[4-(4-phenylphenyl)phenyl]indolo[2,3-a]carbazole
CID 157341055
3-(9-naphthalen-1-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 159733846
11-naphthalen-1-yl-12-[3-(11-naphthalen-1-ylindolo[2,3-a]carbazol-12-yl)-5-phenylphenyl]indolo[2,3-a]carbazole
CID 59365908
3,6-dinaphthalen-1-yl-9-[3-(9-phenylcarbazol-2-yl)phenyl]carbazole;3,6-diphenyl-9-[3-(9-phenylcarbazol-2-yl)phenyl]carbazole;3,6-diphenyl-9-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]carbazole;9-[3-(9-naphthalen-1-ylcarbazol-2-yl)phenyl]-3,6-diphenylcarbazole
CID 159018635
2-(9-phenylcarbazol-2-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 142356248
9-naphthalen-1-yl-14-[3-(9-phenylcarbazol-2-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 134168683
1-carbazol-9-yl-9-[9-[4-(4-phenylphenyl)phenyl]carbazol-2-yl]carbazole
CID 170659725

Frequently Asked Questions

What is the IUPAC name of 12-naphthalen-1-yl-11-[4-(9-phenylcarbazol-2-yl)phenyl]indolo[2,3-a]carbazole?
The IUPAC name of 12-naphthalen-1-yl-11-[4-(9-phenylcarbazol-2-yl)phenyl]indolo[2,3-a]carbazole (CID 134168605) is 12-naphthalen-1-yl-11-[4-(9-phenylcarbazol-2-yl)phenyl]indolo[2,3-a]carbazole.
What is the SMILES notation for 12-naphthalen-1-yl-11-[4-(9-phenylcarbazol-2-yl)phenyl]indolo[2,3-a]carbazole?
The canonical SMILES for 12-naphthalen-1-yl-11-[4-(9-phenylcarbazol-2-yl)phenyl]indolo[2,3-a]carbazole is c1ccc(-n2c3ccccc3c3ccc(-c4ccc(-n5c6ccccc6c6ccc7c8ccccc8n(-c8cccc9ccccc89)c7c65)cc4)cc32)cc1.
What is the InChIKey of 12-naphthalen-1-yl-11-[4-(9-phenylcarbazol-2-yl)phenyl]indolo[2,3-a]carbazole?
The InChIKey is BQGPXEINXQXTQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33N3/c1-2-15-37(16-3-1)53-47-21-9-6-18-40(47)43-30-27-36(33-50(43)53)34-25-28-38(29-26-34)54-48-22-10-7-19-41(48)44-31-32-45-42-20-8-11-23-49(42)55(52(45)51(44)54)46-24-12-14-35-13-4-5-17-39(35)46/h1-33H.
What are the key properties of 12-naphthalen-1-yl-11-[4-(9-phenylcarbazol-2-yl)phenyl]indolo[2,3-a]carbazole?
12-naphthalen-1-yl-11-[4-(9-phenylcarbazol-2-yl)phenyl]indolo[2,3-a]carbazole has a molecular weight of 699.86 g/mol, XLogP of 13.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-naphthalen-1-yl-11-[4-(9-phenylcarbazol-2-yl)phenyl]indolo[2,3-a]carbazole is sourced from PubChem (CID 134168605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).