5-[4-[4-[7-(1,2-dihydropyridin-4-yl)-2-phenylindolo[2,3-b]carbazol-5-yl]phenyl]phenyl]-2-phenyl-7-pyridin-4-ylindolo[2,3-b]carbazole

C70H46N6 — CID 129209540

IUPAC5-[4-[4-[7-(1,2-dihydropyridin-4-yl)-2-phenylindolo[2,3-b]carbazol-5-yl]phenyl]phenyl]-2-phenyl-7-pyridin-4-ylindolo[2,3-b]carbazole
SMILESC1=CC(n2c3ccccc3c3cc4c5cc(-c6ccccc6)ccc5n(-c5ccc(-c6ccc(-n7c8ccc(-c9ccccc9)cc8c8cc9c%10ccccc%10n(-c%10ccncc%10)c9cc87)cc6)cc5)c4cc32)=CCN1
InChIInChI=1S/C70H46N6/c1-3-11-45(12-4-1)49-23-29-65-57(39-49)61-41-59-55-15-7-9-17-63(55)75(53-31-35-71-36-32-53)67(59)43-69(61)73(65)51-25-19-47(20-26-51)48-21-27-52(28-22-48)74-66-30-24-50(46-13-5-2-6-14-46)40-58(66)62-42-60-56-16-8-10-18-64(56)76(68(60)44-70(62)74)54-33-37-72-38-34-54/h1-37,39-44,72H,38H2
InChIKeyVLSHKTLNGAJHEE-UHFFFAOYSA-N
MW971.18 g/mol
LogP17.44
Rot. Bonds7

About 5-[4-[4-[7-(1,2-dihydropyridin-4-yl)-2-phenylindolo[2,3-b]carbazol-5-yl]phenyl]phenyl]-2-phenyl-7-pyridin-4-ylindolo[2,3-b]carbazole

5-[4-[4-[7-(1,2-dihydropyridin-4-yl)-2-phenylindolo[2,3-b]carbazol-5-yl]phenyl]phenyl]-2-phenyl-7-pyridin-4-ylindolo[2,3-b]carbazole (PubChem CID 129209540) has the molecular formula C70H46N6 and a molecular weight of 971.18 g/mol. Its IUPAC name is 5-[4-[4-[7-(1,2-dihydropyridin-4-yl)-2-phenylindolo[2,3-b]carbazol-5-yl]phenyl]phenyl]-2-phenyl-7-pyridin-4-ylindolo[2,3-b]carbazole.

Molecular Properties

Compound Name5-[4-[4-[7-(1,2-dihydropyridin-4-yl)-2-phenylindolo[2,3-b]carbazol-5-yl]phenyl]phenyl]-2-phenyl-7-pyridin-4-ylindolo[2,3-b]carbazole
PubChem CID129209540
Molecular FormulaC70H46N6
Molecular Weight971.18 g/mol
Exact Mass970.38
IUPAC Name5-[4-[4-[7-(1,2-dihydropyridin-4-yl)-2-phenylindolo[2,3-b]carbazol-5-yl]phenyl]phenyl]-2-phenyl-7-pyridin-4-ylindolo[2,3-b]carbazole
SMILESC1=CC(n2c3ccccc3c3cc4c5cc(-c6ccccc6)ccc5n(-c5ccc(-c6ccc(-n7c8ccc(-c9ccccc9)cc8c8cc9c%10ccccc%10n(-c%10ccncc%10)c9cc87)cc6)cc5)c4cc32)=CCN1
InChIInChI=1S/C70H46N6/c1-3-11-45(12-4-1)49-23-29-65-57(39-49)61-41-59-55-15-7-9-17-63(55)75(53-31-35-71-36-32-53)67(59)43-69(61)73(65)51-25-19-47(20-26-51)48-21-27-52(28-22-48)74-66-30-24-50(46-13-5-2-6-14-46)40-58(66)62-42-60-56-16-8-10-18-64(56)76(68(60)44-70(62)74)54-33-37-72-38-34-54/h1-37,39-44,72H,38H2
InChIKeyVLSHKTLNGAJHEE-UHFFFAOYSA-N
XLogP17.44
TPSA44.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500971.18
LogP ≤ 517.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[4-[4-[7-(1,2-dihydropyridin-4-yl)-2-phenylindolo[2,3-b]carbazol-5-yl]phenyl]phenyl]-2-phenyl-7-pyridin-4-ylindolo[2,3-b]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-[7-(1,2-dihydropyridin-4-yl)-2-phenylindolo[2,3-b]carbazol-5-yl]phenyl]phenyl]-2-phenyl-7-pyridin-4-ylindolo[2,3-b]carbazole?
The IUPAC name of 5-[4-[4-[7-(1,2-dihydropyridin-4-yl)-2-phenylindolo[2,3-b]carbazol-5-yl]phenyl]phenyl]-2-phenyl-7-pyridin-4-ylindolo[2,3-b]carbazole (CID 129209540) is 5-[4-[4-[7-(1,2-dihydropyridin-4-yl)-2-phenylindolo[2,3-b]carbazol-5-yl]phenyl]phenyl]-2-phenyl-7-pyridin-4-ylindolo[2,3-b]carbazole.
What is the SMILES notation for 5-[4-[4-[7-(1,2-dihydropyridin-4-yl)-2-phenylindolo[2,3-b]carbazol-5-yl]phenyl]phenyl]-2-phenyl-7-pyridin-4-ylindolo[2,3-b]carbazole?
The canonical SMILES for 5-[4-[4-[7-(1,2-dihydropyridin-4-yl)-2-phenylindolo[2,3-b]carbazol-5-yl]phenyl]phenyl]-2-phenyl-7-pyridin-4-ylindolo[2,3-b]carbazole is C1=CC(n2c3ccccc3c3cc4c5cc(-c6ccccc6)ccc5n(-c5ccc(-c6ccc(-n7c8ccc(-c9ccccc9)cc8c8cc9c%10ccccc%10n(-c%10ccncc%10)c9cc87)cc6)cc5)c4cc32)=CCN1.
What is the InChIKey of 5-[4-[4-[7-(1,2-dihydropyridin-4-yl)-2-phenylindolo[2,3-b]carbazol-5-yl]phenyl]phenyl]-2-phenyl-7-pyridin-4-ylindolo[2,3-b]carbazole?
The InChIKey is VLSHKTLNGAJHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H46N6/c1-3-11-45(12-4-1)49-23-29-65-57(39-49)61-41-59-55-15-7-9-17-63(55)75(53-31-35-71-36-32-53)67(59)43-69(61)73(65)51-25-19-47(20-26-51)48-21-27-52(28-22-48)74-66-30-24-50(46-13-5-2-6-14-46)40-58(66)62-42-60-56-16-8-10-18-64(56)76(68(60)44-70(62)74)54-33-37-72-38-34-54/h1-37,39-44,72H,38H2.
What are the key properties of 5-[4-[4-[7-(1,2-dihydropyridin-4-yl)-2-phenylindolo[2,3-b]carbazol-5-yl]phenyl]phenyl]-2-phenyl-7-pyridin-4-ylindolo[2,3-b]carbazole?
5-[4-[4-[7-(1,2-dihydropyridin-4-yl)-2-phenylindolo[2,3-b]carbazol-5-yl]phenyl]phenyl]-2-phenyl-7-pyridin-4-ylindolo[2,3-b]carbazole has a molecular weight of 971.18 g/mol, XLogP of 17.44, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-[7-(1,2-dihydropyridin-4-yl)-2-phenylindolo[2,3-b]carbazol-5-yl]phenyl]phenyl]-2-phenyl-7-pyridin-4-ylindolo[2,3-b]carbazole is sourced from PubChem (CID 129209540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).