5-[2-(4a,9a-dihydrocarbazol-9-yl)-6-methyl-4-pyridinyl]-12-[2-(5,6-dihydronaphthalen-2-yl)-6-naphthalen-2-yl-4-pyridinyl]indolo[3,2-c]carbazole

C61H43N5 — CID 170205692

IUPAC5-[2-(4a,9a-dihydrocarbazol-9-yl)-6-methyl-4-pyridinyl]-12-[2-(5,6-dihydronaphthalen-2-yl)-6-naphthalen-2-yl-4-pyridinyl]indolo[3,2-c]carbazole
SMILESCc1cc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4cc(-c5ccc6c(c5)C=CCC6)nc(-c5ccc6ccccc6c5)c4)c23)cc(N2c3ccccc3C3C=CC=CC32)n1
InChIInChI=1S/C61H43N5/c1-38-32-45(37-59(62-38)66-55-23-11-6-18-47(55)48-19-7-12-24-56(48)66)64-57-25-13-9-21-51(57)60-58(64)31-30-50-49-20-8-10-22-54(49)65(61(50)60)46-35-52(43-28-26-39-14-2-4-16-41(39)33-43)63-53(36-46)44-29-27-40-15-3-5-17-42(40)34-44/h2,4-14,16-37,47,55H,3,15H2,1H3
InChIKeyFOUUAZZJUIWGQV-UHFFFAOYSA-N
MW846.05 g/mol
LogP15.16
Rot. Bonds5

About 5-[2-(4a,9a-dihydrocarbazol-9-yl)-6-methyl-4-pyridinyl]-12-[2-(5,6-dihydronaphthalen-2-yl)-6-naphthalen-2-yl-4-pyridinyl]indolo[3,2-c]carbazole

5-[2-(4a,9a-dihydrocarbazol-9-yl)-6-methyl-4-pyridinyl]-12-[2-(5,6-dihydronaphthalen-2-yl)-6-naphthalen-2-yl-4-pyridinyl]indolo[3,2-c]carbazole (PubChem CID 170205692) has the molecular formula C61H43N5 and a molecular weight of 846.05 g/mol. Its IUPAC name is 5-[2-(4a,9a-dihydrocarbazol-9-yl)-6-methyl-4-pyridinyl]-12-[2-(5,6-dihydronaphthalen-2-yl)-6-naphthalen-2-yl-4-pyridinyl]indolo[3,2-c]carbazole.

Molecular Properties

Compound Name5-[2-(4a,9a-dihydrocarbazol-9-yl)-6-methyl-4-pyridinyl]-12-[2-(5,6-dihydronaphthalen-2-yl)-6-naphthalen-2-yl-4-pyridinyl]indolo[3,2-c]carbazole
PubChem CID170205692
Molecular FormulaC61H43N5
Molecular Weight846.05 g/mol
Exact Mass845.35
IUPAC Name5-[2-(4a,9a-dihydrocarbazol-9-yl)-6-methyl-4-pyridinyl]-12-[2-(5,6-dihydronaphthalen-2-yl)-6-naphthalen-2-yl-4-pyridinyl]indolo[3,2-c]carbazole
SMILESCc1cc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4cc(-c5ccc6c(c5)C=CCC6)nc(-c5ccc6ccccc6c5)c4)c23)cc(N2c3ccccc3C3C=CC=CC32)n1
InChIInChI=1S/C61H43N5/c1-38-32-45(37-59(62-38)66-55-23-11-6-18-47(55)48-19-7-12-24-56(48)66)64-57-25-13-9-21-51(57)60-58(64)31-30-50-49-20-8-10-22-54(49)65(61(50)60)46-35-52(43-28-26-39-14-2-4-16-41(39)33-43)63-53(36-46)44-29-27-40-15-3-5-17-42(40)34-44/h2,4-14,16-37,47,55H,3,15H2,1H3
InChIKeyFOUUAZZJUIWGQV-UHFFFAOYSA-N
XLogP15.16
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500846.05
LogP ≤ 515.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[2-(4a,9a-dihydrocarbazol-9-yl)-6-methyl-4-pyridinyl]-12-[2-(5,6-dihydronaphthalen-2-yl)-6-naphthalen-2-yl-4-pyridinyl]indolo[3,2-c]carbazole with MolForge

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Related Compounds

5-[3,5-di(carbazol-9-yl)phenyl]-12-(2,6-dinaphthalen-2-yl-4-pyridinyl)indolo[3,2-c]carbazole
CID 58029134
9-[3-(4a,9a-dihydrocarbazol-9-yl)-7-(1,2-dihydrocarbazol-9-yl)benzo[a]anthracen-12-yl]carbazole
CID 89220145
12-[2,6-di(pyren-2-yl)-4-pyridinyl]-5-naphthalen-1-ylindolo[3,2-c]carbazole;12-[2,6-di(pyren-2-yl)-4-pyridinyl]-5-naphthalen-2-ylindolo[3,2-c]carbazole
CID 160857395
9-[4-[5-[4-(4a,9a-dihydrocarbazol-9-yl)phenyl]-2,6-dinaphthalen-2-ylpyrrolo[2,3-f]indol-1-yl]phenyl]carbazole
CID 70669587
12-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)-5-(9-phenylcarbazol-3-yl)indolo[3,2-c]carbazole
CID 123460055
5,12-bis[2,6-di(pyren-2-yl)-4-pyridinyl]indolo[3,2-c]carbazole
CID 58029153
18-[9-[4-(5,6-dihydronaphthalen-2-yl)phenyl]carbazol-3-yl]-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15(20),16,18,21(25),22-dodecaene
CID 145085621
9-[3-(4a,9a-dihydrocarbazol-9-yl)phenyl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene
CID 140913943
2-(4a,9a-dihydrocarbazol-9-yl)-9-carbazol-9-yl-12-dibenzofuran-2-yl-5-phenylindolo[3,2-c]carbazole
CID 71059003
12-[6-(2-naphthalen-2-yl-6-phenyl-4-pyridinyl)naphthalen-2-yl]-5-phenylindolo[3,2-c]carbazole
CID 155240145
12-phenyl-5-[3-[6-[6-[6-[3-(5-phenyl-4a,12c-dihydroindolo[3,2-c]carbazol-12-yl)phenyl]-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]phenyl]indolo[3,2-c]carbazole
CID 170208043
12-naphthalen-2-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)-11-phenylindolo[2,3-a]carbazole;12-naphthalen-2-yl-9-(9-naphthalen-2-ylcarbazol-3-yl)-5-phenylindolo[3,2-c]carbazole
CID 158507542

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4a,9a-dihydrocarbazol-9-yl)-6-methyl-4-pyridinyl]-12-[2-(5,6-dihydronaphthalen-2-yl)-6-naphthalen-2-yl-4-pyridinyl]indolo[3,2-c]carbazole?
The IUPAC name of 5-[2-(4a,9a-dihydrocarbazol-9-yl)-6-methyl-4-pyridinyl]-12-[2-(5,6-dihydronaphthalen-2-yl)-6-naphthalen-2-yl-4-pyridinyl]indolo[3,2-c]carbazole (CID 170205692) is 5-[2-(4a,9a-dihydrocarbazol-9-yl)-6-methyl-4-pyridinyl]-12-[2-(5,6-dihydronaphthalen-2-yl)-6-naphthalen-2-yl-4-pyridinyl]indolo[3,2-c]carbazole.
What is the SMILES notation for 5-[2-(4a,9a-dihydrocarbazol-9-yl)-6-methyl-4-pyridinyl]-12-[2-(5,6-dihydronaphthalen-2-yl)-6-naphthalen-2-yl-4-pyridinyl]indolo[3,2-c]carbazole?
The canonical SMILES for 5-[2-(4a,9a-dihydrocarbazol-9-yl)-6-methyl-4-pyridinyl]-12-[2-(5,6-dihydronaphthalen-2-yl)-6-naphthalen-2-yl-4-pyridinyl]indolo[3,2-c]carbazole is Cc1cc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4cc(-c5ccc6c(c5)C=CCC6)nc(-c5ccc6ccccc6c5)c4)c23)cc(N2c3ccccc3C3C=CC=CC32)n1.
What is the InChIKey of 5-[2-(4a,9a-dihydrocarbazol-9-yl)-6-methyl-4-pyridinyl]-12-[2-(5,6-dihydronaphthalen-2-yl)-6-naphthalen-2-yl-4-pyridinyl]indolo[3,2-c]carbazole?
The InChIKey is FOUUAZZJUIWGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H43N5/c1-38-32-45(37-59(62-38)66-55-23-11-6-18-47(55)48-19-7-12-24-56(48)66)64-57-25-13-9-21-51(57)60-58(64)31-30-50-49-20-8-10-22-54(49)65(61(50)60)46-35-52(43-28-26-39-14-2-4-16-41(39)33-43)63-53(36-46)44-29-27-40-15-3-5-17-42(40)34-44/h2,4-14,16-37,47,55H,3,15H2,1H3.
What are the key properties of 5-[2-(4a,9a-dihydrocarbazol-9-yl)-6-methyl-4-pyridinyl]-12-[2-(5,6-dihydronaphthalen-2-yl)-6-naphthalen-2-yl-4-pyridinyl]indolo[3,2-c]carbazole?
5-[2-(4a,9a-dihydrocarbazol-9-yl)-6-methyl-4-pyridinyl]-12-[2-(5,6-dihydronaphthalen-2-yl)-6-naphthalen-2-yl-4-pyridinyl]indolo[3,2-c]carbazole has a molecular weight of 846.05 g/mol, XLogP of 15.16, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4a,9a-dihydrocarbazol-9-yl)-6-methyl-4-pyridinyl]-12-[2-(5,6-dihydronaphthalen-2-yl)-6-naphthalen-2-yl-4-pyridinyl]indolo[3,2-c]carbazole is sourced from PubChem (CID 170205692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).