5-[3-[11-(2-carbazol-9-yl-1,2-dihydropyridin-6-yl)indolo[3,2-b]carbazol-5-yl]phenyl]-12-(3-carbazol-9-ylphenyl)indolo[3,2-c]carbazole

C77H49N7 — CID 129209652

IUPAC5-[3-[11-(2-carbazol-9-yl-1,2-dihydropyridin-6-yl)indolo[3,2-b]carbazol-5-yl]phenyl]-12-(3-carbazol-9-ylphenyl)indolo[3,2-c]carbazole
SMILESC1=CC(n2c3ccccc3c3ccccc32)NC(n2c3ccccc3c3cc4c(cc32)c2ccccc2n4-c2cccc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5cccc(-n6c7ccccc7c7ccccc76)c5)c34)c2)=C1
InChIInChI=1S/C77H49N7/c1-9-32-63-52(24-1)53-25-2-10-33-64(53)79(63)48-20-18-23-51(45-48)82-66-35-12-5-28-56(66)59-42-43-71-76(77(59)82)60-31-8-16-39-70(60)80(71)49-21-17-22-50(44-49)81-65-34-11-6-29-57(65)61-47-73-62(46-72(61)81)58-30-7-15-38-69(58)84(73)75-41-19-40-74(78-75)83-67-36-13-3-26-54(67)55-27-4-14-37-68(55)83/h1-47,74,78H
InChIKeyDRXGCNFIANCGSP-UHFFFAOYSA-N
MW1072.29 g/mol
LogP19.45
Rot. Bonds6

About 5-[3-[11-(2-carbazol-9-yl-1,2-dihydropyridin-6-yl)indolo[3,2-b]carbazol-5-yl]phenyl]-12-(3-carbazol-9-ylphenyl)indolo[3,2-c]carbazole

5-[3-[11-(2-carbazol-9-yl-1,2-dihydropyridin-6-yl)indolo[3,2-b]carbazol-5-yl]phenyl]-12-(3-carbazol-9-ylphenyl)indolo[3,2-c]carbazole (PubChem CID 129209652) has the molecular formula C77H49N7 and a molecular weight of 1072.29 g/mol. Its IUPAC name is 5-[3-[11-(2-carbazol-9-yl-1,2-dihydropyridin-6-yl)indolo[3,2-b]carbazol-5-yl]phenyl]-12-(3-carbazol-9-ylphenyl)indolo[3,2-c]carbazole.

Molecular Properties

Compound Name5-[3-[11-(2-carbazol-9-yl-1,2-dihydropyridin-6-yl)indolo[3,2-b]carbazol-5-yl]phenyl]-12-(3-carbazol-9-ylphenyl)indolo[3,2-c]carbazole
PubChem CID129209652
Molecular FormulaC77H49N7
Molecular Weight1072.29 g/mol
Exact Mass1071.40
IUPAC Name5-[3-[11-(2-carbazol-9-yl-1,2-dihydropyridin-6-yl)indolo[3,2-b]carbazol-5-yl]phenyl]-12-(3-carbazol-9-ylphenyl)indolo[3,2-c]carbazole
SMILESC1=CC(n2c3ccccc3c3ccccc32)NC(n2c3ccccc3c3cc4c(cc32)c2ccccc2n4-c2cccc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5cccc(-n6c7ccccc7c7ccccc76)c5)c34)c2)=C1
InChIInChI=1S/C77H49N7/c1-9-32-63-52(24-1)53-25-2-10-33-64(53)79(63)48-20-18-23-51(45-48)82-66-35-12-5-28-56(66)59-42-43-71-76(77(59)82)60-31-8-16-39-70(60)80(71)49-21-17-22-50(44-49)81-65-34-11-6-29-57(65)61-47-73-62(46-72(61)81)58-30-7-15-38-69(58)84(73)75-41-19-40-74(78-75)83-67-36-13-3-26-54(67)55-27-4-14-37-68(55)83/h1-47,74,78H
InChIKeyDRXGCNFIANCGSP-UHFFFAOYSA-N
XLogP19.45
TPSA41.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001072.29
LogP ≤ 519.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[3-[11-(2-carbazol-9-yl-1,2-dihydropyridin-6-yl)indolo[3,2-b]carbazol-5-yl]phenyl]-12-(3-carbazol-9-ylphenyl)indolo[3,2-c]carbazole with MolForge

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Related Compounds

5-(3-carbazol-9-ylphenyl)-11-[3-[12-(3-carbazol-9-ylphenyl)indolo[3,2-c]carbazol-5-yl]phenyl]indolo[3,2-b]carbazole
CID 88917489
5-phenyl-11-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]indolo[3,2-b]carbazole
CID 58038298
5-(3-carbazol-9-ylphenyl)-11-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]indolo[3,2-b]carbazole
CID 88917500
5-[3-[11-(3-carbazol-9-ylphenyl)indolo[2,3-a]carbazol-12-yl]-5-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-12-phenylindolo[3,2-c]carbazole
CID 88917462
5-[4-[4-[12-(3-carbazol-9-ylphenyl)indolo[2,3-a]carbazol-11-yl]phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole
CID 88917457
5,12-diphenylindolo[3,2-c]carbazole
CID 22105108
12-phenyl-11-(6-phenyl-1,2-dihydropyridin-2-yl)indolo[2,3-a]carbazole
CID 70912210
5-(3-phenylphenyl)-12-[3-(3-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 164847593
5,12-bis[3-(4-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 122598848
9,20-bis(3-carbazol-9-ylphenyl)-9,18,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene
CID 123701995
25-(3-carbazol-9-ylphenyl)-12-phenyl-12,25-diazaheptacyclo[15.11.0.02,14.05,13.06,11.018,26.019,24]octacosa-1(17),2(14),3,5(13),6,8,10,15,18(26),19,21,23,27-tridecaene
CID 142290041
12-[4-(3-carbazol-9-ylphenyl)phenyl]-5-phenylindolo[3,2-c]carbazole;12-[4-(9-phenylcarbazol-2-yl)phenyl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole;12-[4-(9-phenylcarbazol-3-yl)phenyl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 159456602

Frequently Asked Questions

What is the IUPAC name of 5-[3-[11-(2-carbazol-9-yl-1,2-dihydropyridin-6-yl)indolo[3,2-b]carbazol-5-yl]phenyl]-12-(3-carbazol-9-ylphenyl)indolo[3,2-c]carbazole?
The IUPAC name of 5-[3-[11-(2-carbazol-9-yl-1,2-dihydropyridin-6-yl)indolo[3,2-b]carbazol-5-yl]phenyl]-12-(3-carbazol-9-ylphenyl)indolo[3,2-c]carbazole (CID 129209652) is 5-[3-[11-(2-carbazol-9-yl-1,2-dihydropyridin-6-yl)indolo[3,2-b]carbazol-5-yl]phenyl]-12-(3-carbazol-9-ylphenyl)indolo[3,2-c]carbazole.
What is the SMILES notation for 5-[3-[11-(2-carbazol-9-yl-1,2-dihydropyridin-6-yl)indolo[3,2-b]carbazol-5-yl]phenyl]-12-(3-carbazol-9-ylphenyl)indolo[3,2-c]carbazole?
The canonical SMILES for 5-[3-[11-(2-carbazol-9-yl-1,2-dihydropyridin-6-yl)indolo[3,2-b]carbazol-5-yl]phenyl]-12-(3-carbazol-9-ylphenyl)indolo[3,2-c]carbazole is C1=CC(n2c3ccccc3c3ccccc32)NC(n2c3ccccc3c3cc4c(cc32)c2ccccc2n4-c2cccc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5cccc(-n6c7ccccc7c7ccccc76)c5)c34)c2)=C1.
What is the InChIKey of 5-[3-[11-(2-carbazol-9-yl-1,2-dihydropyridin-6-yl)indolo[3,2-b]carbazol-5-yl]phenyl]-12-(3-carbazol-9-ylphenyl)indolo[3,2-c]carbazole?
The InChIKey is DRXGCNFIANCGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C77H49N7/c1-9-32-63-52(24-1)53-25-2-10-33-64(53)79(63)48-20-18-23-51(45-48)82-66-35-12-5-28-56(66)59-42-43-71-76(77(59)82)60-31-8-16-39-70(60)80(71)49-21-17-22-50(44-49)81-65-34-11-6-29-57(65)61-47-73-62(46-72(61)81)58-30-7-15-38-69(58)84(73)75-41-19-40-74(78-75)83-67-36-13-3-26-54(67)55-27-4-14-37-68(55)83/h1-47,74,78H.
What are the key properties of 5-[3-[11-(2-carbazol-9-yl-1,2-dihydropyridin-6-yl)indolo[3,2-b]carbazol-5-yl]phenyl]-12-(3-carbazol-9-ylphenyl)indolo[3,2-c]carbazole?
5-[3-[11-(2-carbazol-9-yl-1,2-dihydropyridin-6-yl)indolo[3,2-b]carbazol-5-yl]phenyl]-12-(3-carbazol-9-ylphenyl)indolo[3,2-c]carbazole has a molecular weight of 1072.29 g/mol, XLogP of 19.45, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[11-(2-carbazol-9-yl-1,2-dihydropyridin-6-yl)indolo[3,2-b]carbazol-5-yl]phenyl]-12-(3-carbazol-9-ylphenyl)indolo[3,2-c]carbazole is sourced from PubChem (CID 129209652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).