7-phenyl-5-[4-[4-phenyl-6-(4-phenylphenyl)-3,5-diaza-1-azanidacyclohex-4-en-2-yl]-1,2-dihydropyridin-6-yl]indolo[2,3-b]carbazole

C50H37N6- — CID 145190429

IUPAC7-phenyl-5-[4-[4-phenyl-6-(4-phenylphenyl)-3,5-diaza-1-azanidacyclohex-4-en-2-yl]-1,2-dihydropyridin-6-yl]indolo[2,3-b]carbazole
SMILESC1=C(C2[N-]C(c3ccc(-c4ccccc4)cc3)N=C(c3ccccc3)N2)C=C(n2c3ccccc3c3cc4c5ccccc5n(-c5ccccc5)c4cc32)NC1
InChIInChI=1S/C50H37N6/c1-4-14-33(15-5-1)34-24-26-36(27-25-34)49-52-48(35-16-6-2-7-17-35)53-50(54-49)37-28-29-51-47(30-37)56-44-23-13-11-21-40(44)42-31-41-39-20-10-12-22-43(39)55(45(41)32-46(42)56)38-18-8-3-9-19-38/h1-28,30-32,49-51H,29H2,(H,52,53)/q-1
InChIKeySLYMWRUGLJVNSF-UHFFFAOYSA-N
MW721.89 g/mol
LogP11.34
Rot. Bonds6

About 7-phenyl-5-[4-[4-phenyl-6-(4-phenylphenyl)-3,5-diaza-1-azanidacyclohex-4-en-2-yl]-1,2-dihydropyridin-6-yl]indolo[2,3-b]carbazole

7-phenyl-5-[4-[4-phenyl-6-(4-phenylphenyl)-3,5-diaza-1-azanidacyclohex-4-en-2-yl]-1,2-dihydropyridin-6-yl]indolo[2,3-b]carbazole (PubChem CID 145190429) has the molecular formula C50H37N6- and a molecular weight of 721.89 g/mol. Its IUPAC name is 7-phenyl-5-[4-[4-phenyl-6-(4-phenylphenyl)-3,5-diaza-1-azanidacyclohex-4-en-2-yl]-1,2-dihydropyridin-6-yl]indolo[2,3-b]carbazole.

Molecular Properties

Compound Name7-phenyl-5-[4-[4-phenyl-6-(4-phenylphenyl)-3,5-diaza-1-azanidacyclohex-4-en-2-yl]-1,2-dihydropyridin-6-yl]indolo[2,3-b]carbazole
PubChem CID145190429
Molecular FormulaC50H37N6-
Molecular Weight721.89 g/mol
Exact Mass721.31
IUPAC Name7-phenyl-5-[4-[4-phenyl-6-(4-phenylphenyl)-3,5-diaza-1-azanidacyclohex-4-en-2-yl]-1,2-dihydropyridin-6-yl]indolo[2,3-b]carbazole
SMILESC1=C(C2[N-]C(c3ccc(-c4ccccc4)cc3)N=C(c3ccccc3)N2)C=C(n2c3ccccc3c3cc4c5ccccc5n(-c5ccccc5)c4cc32)NC1
InChIInChI=1S/C50H37N6/c1-4-14-33(15-5-1)34-24-26-36(27-25-34)49-52-48(35-16-6-2-7-17-35)53-50(54-49)37-28-29-51-47(30-37)56-44-23-13-11-21-40(44)42-31-41-39-20-10-12-22-43(39)55(45(41)32-46(42)56)38-18-8-3-9-19-38/h1-28,30-32,49-51H,29H2,(H,52,53)/q-1
InChIKeySLYMWRUGLJVNSF-UHFFFAOYSA-N
XLogP11.34
TPSA60.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500721.89
LogP ≤ 511.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(3-carbazol-9-ylphenyl)-6-phenyl-3,5-diaza-1-azanidacyclohex-3-en-2-yl]benzonitrile
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7-phenyl-5-[6-phenyl-2-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]indolo[2,3-b]carbazole
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5-phenyl-11-[4-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole
CID 142356573
5-[3-[3-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole
CID 145085378
5,7-bis(4-phenylphenyl)indolo[2,3-b]carbazole;5,7-diphenylindolo[2,3-b]carbazole;5-(3,5-diphenylphenyl)-7-phenylindolo[2,3-b]carbazole;5-[4-(3,5-diphenylphenyl)phenyl]-7-phenylindolo[2,3-b]carbazole
CID 159483264
5,7-bis(4-phenylphenyl)indolo[2,3-b]carbazole;5,7-diphenylindolo[2,3-b]carbazole;5-(3,5-diphenylphenyl)-7-(4-phenylphenyl)indolo[2,3-b]carbazole;7-phenyl-5-(4-phenylphenyl)indolo[2,3-b]carbazole
CID 159455961
7-[4-(4-carbazol-9-ylphenyl)phenyl]-5-(3-phenylphenyl)indolo[2,3-b]carbazole
CID 134168520
9-(4,6-diphenyl-1,3-diaza-5-azanidacyclohex-2-en-2-yl)-2,6-diphenylcarbazole
CID 144963882
7-phenyl-5-[4-[4-phenyl-6-(4-phenylphenyl)-2-pyridinyl]phenyl]indolo[2,3-b]carbazole
CID 155240607
7-(3-phenylphenyl)-5-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]indolo[2,3-b]carbazole
CID 166961159
3-carbazol-9-yl-9-(3-carbazol-9-ylphenyl)carbazole;3-carbazol-9-yl-9-(9-phenylcarbazol-3-yl)carbazole;3-carbazol-9-yl-9-(4-phenylphenyl)carbazole;5,7-diphenylindolo[2,3-b]carbazole
CID 159682410

Frequently Asked Questions

What is the IUPAC name of 7-phenyl-5-[4-[4-phenyl-6-(4-phenylphenyl)-3,5-diaza-1-azanidacyclohex-4-en-2-yl]-1,2-dihydropyridin-6-yl]indolo[2,3-b]carbazole?
The IUPAC name of 7-phenyl-5-[4-[4-phenyl-6-(4-phenylphenyl)-3,5-diaza-1-azanidacyclohex-4-en-2-yl]-1,2-dihydropyridin-6-yl]indolo[2,3-b]carbazole (CID 145190429) is 7-phenyl-5-[4-[4-phenyl-6-(4-phenylphenyl)-3,5-diaza-1-azanidacyclohex-4-en-2-yl]-1,2-dihydropyridin-6-yl]indolo[2,3-b]carbazole.
What is the SMILES notation for 7-phenyl-5-[4-[4-phenyl-6-(4-phenylphenyl)-3,5-diaza-1-azanidacyclohex-4-en-2-yl]-1,2-dihydropyridin-6-yl]indolo[2,3-b]carbazole?
The canonical SMILES for 7-phenyl-5-[4-[4-phenyl-6-(4-phenylphenyl)-3,5-diaza-1-azanidacyclohex-4-en-2-yl]-1,2-dihydropyridin-6-yl]indolo[2,3-b]carbazole is C1=C(C2[N-]C(c3ccc(-c4ccccc4)cc3)N=C(c3ccccc3)N2)C=C(n2c3ccccc3c3cc4c5ccccc5n(-c5ccccc5)c4cc32)NC1.
What is the InChIKey of 7-phenyl-5-[4-[4-phenyl-6-(4-phenylphenyl)-3,5-diaza-1-azanidacyclohex-4-en-2-yl]-1,2-dihydropyridin-6-yl]indolo[2,3-b]carbazole?
The InChIKey is SLYMWRUGLJVNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H37N6/c1-4-14-33(15-5-1)34-24-26-36(27-25-34)49-52-48(35-16-6-2-7-17-35)53-50(54-49)37-28-29-51-47(30-37)56-44-23-13-11-21-40(44)42-31-41-39-20-10-12-22-43(39)55(45(41)32-46(42)56)38-18-8-3-9-19-38/h1-28,30-32,49-51H,29H2,(H,52,53)/q-1.
What are the key properties of 7-phenyl-5-[4-[4-phenyl-6-(4-phenylphenyl)-3,5-diaza-1-azanidacyclohex-4-en-2-yl]-1,2-dihydropyridin-6-yl]indolo[2,3-b]carbazole?
7-phenyl-5-[4-[4-phenyl-6-(4-phenylphenyl)-3,5-diaza-1-azanidacyclohex-4-en-2-yl]-1,2-dihydropyridin-6-yl]indolo[2,3-b]carbazole has a molecular weight of 721.89 g/mol, XLogP of 11.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-5-[4-[4-phenyl-6-(4-phenylphenyl)-3,5-diaza-1-azanidacyclohex-4-en-2-yl]-1,2-dihydropyridin-6-yl]indolo[2,3-b]carbazole is sourced from PubChem (CID 145190429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).