12-[2,6-bis(3-naphthalen-2-ylphenyl)-1,2-dihydropyridin-4-yl]-11-phenylindolo[2,3-a]carbazole

C61H41N3 — CID 130183998

IUPAC12-[2,6-bis(3-naphthalen-2-ylphenyl)-1,2-dihydropyridin-4-yl]-11-phenylindolo[2,3-a]carbazole
SMILESC1=C(c2cccc(-c3ccc4ccccc4c3)c2)NC(c2cccc(-c3ccc4ccccc4c3)c2)C=C1n1c2ccccc2c2ccc3c4ccccc4n(-c4ccccc4)c3c21
InChIInChI=1S/C61H41N3/c1-2-22-50(23-3-1)63-58-26-10-8-24-52(58)54-32-33-55-53-25-9-11-27-59(53)64(61(55)60(54)63)51-38-56(48-20-12-18-44(36-48)46-30-28-40-14-4-6-16-42(40)34-46)62-57(39-51)49-21-13-19-45(37-49)47-31-29-41-15-5-7-17-43(41)35-47/h1-39,56,62H
InChIKeyBNDZZFJUOWJKDP-UHFFFAOYSA-N
MW816.02 g/mol
LogP15.76
Rot. Bonds6

About 12-[2,6-bis(3-naphthalen-2-ylphenyl)-1,2-dihydropyridin-4-yl]-11-phenylindolo[2,3-a]carbazole

12-[2,6-bis(3-naphthalen-2-ylphenyl)-1,2-dihydropyridin-4-yl]-11-phenylindolo[2,3-a]carbazole (PubChem CID 130183998) has the molecular formula C61H41N3 and a molecular weight of 816.02 g/mol. Its IUPAC name is 12-[2,6-bis(3-naphthalen-2-ylphenyl)-1,2-dihydropyridin-4-yl]-11-phenylindolo[2,3-a]carbazole.

Molecular Properties

Compound Name12-[2,6-bis(3-naphthalen-2-ylphenyl)-1,2-dihydropyridin-4-yl]-11-phenylindolo[2,3-a]carbazole
PubChem CID130183998
Molecular FormulaC61H41N3
Molecular Weight816.02 g/mol
Exact Mass815.33
IUPAC Name12-[2,6-bis(3-naphthalen-2-ylphenyl)-1,2-dihydropyridin-4-yl]-11-phenylindolo[2,3-a]carbazole
SMILESC1=C(c2cccc(-c3ccc4ccccc4c3)c2)NC(c2cccc(-c3ccc4ccccc4c3)c2)C=C1n1c2ccccc2c2ccc3c4ccccc4n(-c4ccccc4)c3c21
InChIInChI=1S/C61H41N3/c1-2-22-50(23-3-1)63-58-26-10-8-24-52(58)54-32-33-55-53-25-9-11-27-59(53)64(61(55)60(54)63)51-38-56(48-20-12-18-44(36-48)46-30-28-40-14-4-6-16-42(40)34-46)62-57(39-51)49-21-13-19-45(37-49)47-31-29-41-15-5-7-17-43(41)35-47/h1-39,56,62H
InChIKeyBNDZZFJUOWJKDP-UHFFFAOYSA-N
XLogP15.76
TPSA21.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500816.02
LogP ≤ 515.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9-[3-(6-naphthalen-2-yl-4-phenyl-1,2-dihydropyridin-2-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 135162788
12-(2,6-diphenyl-1,2-dihydropyridin-4-yl)-2-(9-phenylcarbazol-1-yl)-[1]benzothiolo[3,2-a]carbazole
CID 163492773
12-[2,6-di(pyren-2-yl)-1,2-dihydropyridin-4-yl]-5-naphthalen-2-ylindolo[3,2-c]carbazole
CID 129209793
12-(2,6-diphenyl-1,2-dihydropyridin-4-yl)-16-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 130184193
9-[3-(4,6-diphenyl-1,2-dihydropyridin-2-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 135163040
12-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole
CID 59365869
9-[3-(6-naphthalen-2-yl-4-phenyl-1,2,3,4-tetrahydropyrimidin-2-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 135162777
3,24-diphenyl-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene
CID 122464954
16-[3-[3-(2,4-diphenyl-1,6-dihydropyrimidin-6-yl)phenyl]phenyl]-2,13-dioxa-16-azahexacyclo[12.11.0.03,12.05,10.015,23.017,22]pentacosa-1(14),3,5,7,9,11,15(23),17,19,21,24-undecaene
CID 137047687
11-(3-naphthalen-2-ylphenyl)-5-phenylindolo[3,2-b]carbazole
CID 167157338
5-(4a,8a-dihydronaphthalen-2-yl)-12-[2,6-di(pyren-2-yl)-1,2-dihydropyridin-4-yl]indolo[3,2-c]carbazole
CID 88560608
2-naphthalen-2-yl-4-phenyl-6-(3-phenylphenyl)-1,2-dihydropyridine
CID 145212320

Frequently Asked Questions

What is the IUPAC name of 12-[2,6-bis(3-naphthalen-2-ylphenyl)-1,2-dihydropyridin-4-yl]-11-phenylindolo[2,3-a]carbazole?
The IUPAC name of 12-[2,6-bis(3-naphthalen-2-ylphenyl)-1,2-dihydropyridin-4-yl]-11-phenylindolo[2,3-a]carbazole (CID 130183998) is 12-[2,6-bis(3-naphthalen-2-ylphenyl)-1,2-dihydropyridin-4-yl]-11-phenylindolo[2,3-a]carbazole.
What is the SMILES notation for 12-[2,6-bis(3-naphthalen-2-ylphenyl)-1,2-dihydropyridin-4-yl]-11-phenylindolo[2,3-a]carbazole?
The canonical SMILES for 12-[2,6-bis(3-naphthalen-2-ylphenyl)-1,2-dihydropyridin-4-yl]-11-phenylindolo[2,3-a]carbazole is C1=C(c2cccc(-c3ccc4ccccc4c3)c2)NC(c2cccc(-c3ccc4ccccc4c3)c2)C=C1n1c2ccccc2c2ccc3c4ccccc4n(-c4ccccc4)c3c21.
What is the InChIKey of 12-[2,6-bis(3-naphthalen-2-ylphenyl)-1,2-dihydropyridin-4-yl]-11-phenylindolo[2,3-a]carbazole?
The InChIKey is BNDZZFJUOWJKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H41N3/c1-2-22-50(23-3-1)63-58-26-10-8-24-52(58)54-32-33-55-53-25-9-11-27-59(53)64(61(55)60(54)63)51-38-56(48-20-12-18-44(36-48)46-30-28-40-14-4-6-16-42(40)34-46)62-57(39-51)49-21-13-19-45(37-49)47-31-29-41-15-5-7-17-43(41)35-47/h1-39,56,62H.
What are the key properties of 12-[2,6-bis(3-naphthalen-2-ylphenyl)-1,2-dihydropyridin-4-yl]-11-phenylindolo[2,3-a]carbazole?
12-[2,6-bis(3-naphthalen-2-ylphenyl)-1,2-dihydropyridin-4-yl]-11-phenylindolo[2,3-a]carbazole has a molecular weight of 816.02 g/mol, XLogP of 15.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[2,6-bis(3-naphthalen-2-ylphenyl)-1,2-dihydropyridin-4-yl]-11-phenylindolo[2,3-a]carbazole is sourced from PubChem (CID 130183998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).