10-isoquinolin-1-yl-7-(1,10-phenanthrolin-5-yl)benzo[c]carbazole;7-(1,10-phenanthrolin-5-yl)-10-pyridin-2-ylbenzo[c]carbazole;7-(1,10-phenanthrolin-5-yl)-10-pyridin-3-ylbenzo[c]carbazole;10-[5-(1,10-phenanthrolin-5-yl)-2-pyridinyl]-7-quinolin-2-ylbenzo[c]carbazole

C145H87N17 — CID 159858649

IUPAC10-isoquinolin-1-yl-7-(1,10-phenanthrolin-5-yl)benzo[c]carbazole;7-(1,10-phenanthrolin-5-yl)-10-pyridin-2-ylbenzo[c]carbazole;7-(1,10-phenanthrolin-5-yl)-10-pyridin-3-ylbenzo[c]carbazole;10-[5-(1,10-phenanthrolin-5-yl)-2-pyridinyl]-7-quinolin-2-ylbenzo[c]carbazole
SMILESc1ccc(-c2ccc3c(c2)c2c4ccccc4ccc2n3-c2cc3cccnc3c3ncccc23)nc1.c1ccc2c(-c3ccc4c(c3)c3c5ccccc5ccc3n4-c3cc4cccnc4c4ncccc34)nccc2c1.c1ccc2nc(-n3c4ccc(-c5ccc(-c6cc7cccnc7c7ncccc67)cn5)cc4c4c5ccccc5ccc43)ccc2c1.c1cncc(-c2ccc3c(c2)c2c4ccccc4ccc2n3-c2cc3cccnc3c3ncccc23)c1
InChIInChI=1S/C42H25N5.C37H22N4.2C33H20N4/c1-3-10-31-26(7-1)14-19-38-40(31)34-23-28(15-18-37(34)47(38)39-20-16-27-8-2-4-12-36(27)46-39)35-17-13-30(25-45-35)33-24-29-9-5-21-43-41(29)42-32(33)11-6-22-44-42;1-3-10-27-23(7-1)13-16-32-34(27)30-21-26(35-28-11-4-2-8-24(28)17-20-40-35)14-15-31(30)41(32)33-22-25-9-5-18-38-36(25)37-29(33)12-6-19-39-37;1-2-9-25-21(6-1)11-14-29-31(25)27-18-22(24-8-3-15-34-20-24)12-13-28(27)37(29)30-19-23-7-4-16-35-32(23)33-26(30)10-5-17-36-33;1-2-9-24-21(7-1)12-15-29-31(24)26-19-22(27-11-3-4-16-34-27)13-14-28(26)37(29)30-20-23-8-5-17-35-32(23)33-25(30)10-6-18-36-33/h1-25H;1-22H;2*1-20H
InChIKeyNQVWABDGGRHYSC-UHFFFAOYSA-N
MW2067.41 g/mol
LogP35.75
Rot. Bonds9

About 10-isoquinolin-1-yl-7-(1,10-phenanthrolin-5-yl)benzo[c]carbazole;7-(1,10-phenanthrolin-5-yl)-10-pyridin-2-ylbenzo[c]carbazole;7-(1,10-phenanthrolin-5-yl)-10-pyridin-3-ylbenzo[c]carbazole;10-[5-(1,10-phenanthrolin-5-yl)-2-pyridinyl]-7-quinolin-2-ylbenzo[c]carbazole

10-isoquinolin-1-yl-7-(1,10-phenanthrolin-5-yl)benzo[c]carbazole;7-(1,10-phenanthrolin-5-yl)-10-pyridin-2-ylbenzo[c]carbazole;7-(1,10-phenanthrolin-5-yl)-10-pyridin-3-ylbenzo[c]carbazole;10-[5-(1,10-phenanthrolin-5-yl)-2-pyridinyl]-7-quinolin-2-ylbenzo[c]carbazole (PubChem CID 159858649) has the molecular formula C145H87N17 and a molecular weight of 2067.41 g/mol. Its IUPAC name is 10-isoquinolin-1-yl-7-(1,10-phenanthrolin-5-yl)benzo[c]carbazole;7-(1,10-phenanthrolin-5-yl)-10-pyridin-2-ylbenzo[c]carbazole;7-(1,10-phenanthrolin-5-yl)-10-pyridin-3-ylbenzo[c]carbazole;10-[5-(1,10-phenanthrolin-5-yl)-2-pyridinyl]-7-quinolin-2-ylbenzo[c]carbazole.

Molecular Properties

Compound Name10-isoquinolin-1-yl-7-(1,10-phenanthrolin-5-yl)benzo[c]carbazole;7-(1,10-phenanthrolin-5-yl)-10-pyridin-2-ylbenzo[c]carbazole;7-(1,10-phenanthrolin-5-yl)-10-pyridin-3-ylbenzo[c]carbazole;10-[5-(1,10-phenanthrolin-5-yl)-2-pyridinyl]-7-quinolin-2-ylbenzo[c]carbazole
PubChem CID159858649
Molecular FormulaC145H87N17
Molecular Weight2067.41 g/mol
Exact Mass2065.73
IUPAC Name10-isoquinolin-1-yl-7-(1,10-phenanthrolin-5-yl)benzo[c]carbazole;7-(1,10-phenanthrolin-5-yl)-10-pyridin-2-ylbenzo[c]carbazole;7-(1,10-phenanthrolin-5-yl)-10-pyridin-3-ylbenzo[c]carbazole;10-[5-(1,10-phenanthrolin-5-yl)-2-pyridinyl]-7-quinolin-2-ylbenzo[c]carbazole
SMILESc1ccc(-c2ccc3c(c2)c2c4ccccc4ccc2n3-c2cc3cccnc3c3ncccc23)nc1.c1ccc2c(-c3ccc4c(c3)c3c5ccccc5ccc3n4-c3cc4cccnc4c4ncccc34)nccc2c1.c1ccc2nc(-n3c4ccc(-c5ccc(-c6cc7cccnc7c7ncccc67)cn5)cc4c4c5ccccc5ccc43)ccc2c1.c1cncc(-c2ccc3c(c2)c2c4ccccc4ccc2n3-c2cc3cccnc3c3ncccc23)c1
InChIInChI=1S/C42H25N5.C37H22N4.2C33H20N4/c1-3-10-31-26(7-1)14-19-38-40(31)34-23-28(15-18-37(34)47(38)39-20-16-27-8-2-4-12-36(27)46-39)35-17-13-30(25-45-35)33-24-29-9-5-21-43-41(29)42-32(33)11-6-22-44-42;1-3-10-27-23(7-1)13-16-32-34(27)30-21-26(35-28-11-4-2-8-24(28)17-20-40-35)14-15-31(30)41(32)33-22-25-9-5-18-38-36(25)37-29(33)12-6-19-39-37;1-2-9-25-21(6-1)11-14-29-31(25)27-18-22(24-8-3-15-34-20-24)12-13-28(27)37(29)30-19-23-7-4-16-35-32(23)33-26(30)10-5-17-36-33;1-2-9-24-21(7-1)12-15-29-31(24)26-19-22(27-11-3-4-16-34-27)13-14-28(26)37(29)30-20-23-8-5-17-35-32(23)33-25(30)10-6-18-36-33/h1-25H;1-22H;2*1-20H
InChIKeyNQVWABDGGRHYSC-UHFFFAOYSA-N
XLogP35.75
TPSA187.29 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds9
Heavy Atoms162
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002067.41
LogP ≤ 535.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 10-isoquinolin-1-yl-7-(1,10-phenanthrolin-5-yl)benzo[c]carbazole;7-(1,10-phenanthrolin-5-yl)-10-pyridin-2-ylbenzo[c]carbazole;7-(1,10-phenanthrolin-5-yl)-10-pyridin-3-ylbenzo[c]carbazole;10-[5-(1,10-phenanthrolin-5-yl)-2-pyridinyl]-7-quinolin-2-ylbenzo[c]carbazole with MolForge

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Related Compounds

10-(5-pyridin-3-yl-2-pyridinyl)-7-quinolin-2-ylbenzo[c]carbazole
CID 90249868
10-(5-isoquinolin-1-yl-2-pyridinyl)-7-pyridin-2-ylbenzo[c]carbazole
CID 90249844
11-(1,10-phenanthrolin-5-yl)-5,8-bis(5-pyridin-3-yl-2-pyridinyl)benzo[a]carbazole
CID 90249971
5,8-bis(5-pyridin-3-yl-2-pyridinyl)-11-quinolin-2-ylbenzo[a]carbazole
CID 90249961
10-isoquinolin-1-yl-7-pyridin-2-ylbenzo[c]carbazole
CID 90249840
7,10-di(quinolin-2-yl)benzo[c]carbazole
CID 90249861
10-quinolin-2-yl-7-(5-quinolin-2-yl-2-pyridinyl)benzo[c]carbazole
CID 90249912
7,10-dipyridin-2-ylbenzo[c]carbazole
CID 90249849
7-(5-pyridin-3-yl-2-pyridinyl)benzo[c]carbazole
CID 90250027
5,8-di(isoquinolin-1-yl)-11-(5-pyridin-3-yl-2-pyridinyl)benzo[a]carbazole
CID 90249972
6-[3-[6-(1,10-phenanthrolin-4-yl)-3-pyridinyl]phenyl]benzo[k]phenanthridine
CID 146408560
2-[3-(1,10-phenanthrolin-2-yl)-5-[7-(2-pyridin-2-ylquinolin-7-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline;2-phenyl-9-[4-[7-(2-pyridin-2-ylquinolin-7-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline;5-[3-[7-(2-pyridin-2-ylquinolin-7-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline
CID 165006532

Frequently Asked Questions

What is the IUPAC name of 10-isoquinolin-1-yl-7-(1,10-phenanthrolin-5-yl)benzo[c]carbazole;7-(1,10-phenanthrolin-5-yl)-10-pyridin-2-ylbenzo[c]carbazole;7-(1,10-phenanthrolin-5-yl)-10-pyridin-3-ylbenzo[c]carbazole;10-[5-(1,10-phenanthrolin-5-yl)-2-pyridinyl]-7-quinolin-2-ylbenzo[c]carbazole?
The IUPAC name of 10-isoquinolin-1-yl-7-(1,10-phenanthrolin-5-yl)benzo[c]carbazole;7-(1,10-phenanthrolin-5-yl)-10-pyridin-2-ylbenzo[c]carbazole;7-(1,10-phenanthrolin-5-yl)-10-pyridin-3-ylbenzo[c]carbazole;10-[5-(1,10-phenanthrolin-5-yl)-2-pyridinyl]-7-quinolin-2-ylbenzo[c]carbazole (CID 159858649) is 10-isoquinolin-1-yl-7-(1,10-phenanthrolin-5-yl)benzo[c]carbazole;7-(1,10-phenanthrolin-5-yl)-10-pyridin-2-ylbenzo[c]carbazole;7-(1,10-phenanthrolin-5-yl)-10-pyridin-3-ylbenzo[c]carbazole;10-[5-(1,10-phenanthrolin-5-yl)-2-pyridinyl]-7-quinolin-2-ylbenzo[c]carbazole.
What is the SMILES notation for 10-isoquinolin-1-yl-7-(1,10-phenanthrolin-5-yl)benzo[c]carbazole;7-(1,10-phenanthrolin-5-yl)-10-pyridin-2-ylbenzo[c]carbazole;7-(1,10-phenanthrolin-5-yl)-10-pyridin-3-ylbenzo[c]carbazole;10-[5-(1,10-phenanthrolin-5-yl)-2-pyridinyl]-7-quinolin-2-ylbenzo[c]carbazole?
The canonical SMILES for 10-isoquinolin-1-yl-7-(1,10-phenanthrolin-5-yl)benzo[c]carbazole;7-(1,10-phenanthrolin-5-yl)-10-pyridin-2-ylbenzo[c]carbazole;7-(1,10-phenanthrolin-5-yl)-10-pyridin-3-ylbenzo[c]carbazole;10-[5-(1,10-phenanthrolin-5-yl)-2-pyridinyl]-7-quinolin-2-ylbenzo[c]carbazole is c1ccc(-c2ccc3c(c2)c2c4ccccc4ccc2n3-c2cc3cccnc3c3ncccc23)nc1.c1ccc2c(-c3ccc4c(c3)c3c5ccccc5ccc3n4-c3cc4cccnc4c4ncccc34)nccc2c1.c1ccc2nc(-n3c4ccc(-c5ccc(-c6cc7cccnc7c7ncccc67)cn5)cc4c4c5ccccc5ccc43)ccc2c1.c1cncc(-c2ccc3c(c2)c2c4ccccc4ccc2n3-c2cc3cccnc3c3ncccc23)c1.
What is the InChIKey of 10-isoquinolin-1-yl-7-(1,10-phenanthrolin-5-yl)benzo[c]carbazole;7-(1,10-phenanthrolin-5-yl)-10-pyridin-2-ylbenzo[c]carbazole;7-(1,10-phenanthrolin-5-yl)-10-pyridin-3-ylbenzo[c]carbazole;10-[5-(1,10-phenanthrolin-5-yl)-2-pyridinyl]-7-quinolin-2-ylbenzo[c]carbazole?
The InChIKey is NQVWABDGGRHYSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H25N5.C37H22N4.2C33H20N4/c1-3-10-31-26(7-1)14-19-38-40(31)34-23-28(15-18-37(34)47(38)39-20-16-27-8-2-4-12-36(27)46-39)35-17-13-30(25-45-35)33-24-29-9-5-21-43-41(29)42-32(33)11-6-22-44-42;1-3-10-27-23(7-1)13-16-32-34(27)30-21-26(35-28-11-4-2-8-24(28)17-20-40-35)14-15-31(30)41(32)33-22-25-9-5-18-38-36(25)37-29(33)12-6-19-39-37;1-2-9-25-21(6-1)11-14-29-31(25)27-18-22(24-8-3-15-34-20-24)12-13-28(27)37(29)30-19-23-7-4-16-35-32(23)33-26(30)10-5-17-36-33;1-2-9-24-21(7-1)12-15-29-31(24)26-19-22(27-11-3-4-16-34-27)13-14-28(26)37(29)30-20-23-8-5-17-35-32(23)33-25(30)10-6-18-36-33/h1-25H;1-22H;2*1-20H.
What are the key properties of 10-isoquinolin-1-yl-7-(1,10-phenanthrolin-5-yl)benzo[c]carbazole;7-(1,10-phenanthrolin-5-yl)-10-pyridin-2-ylbenzo[c]carbazole;7-(1,10-phenanthrolin-5-yl)-10-pyridin-3-ylbenzo[c]carbazole;10-[5-(1,10-phenanthrolin-5-yl)-2-pyridinyl]-7-quinolin-2-ylbenzo[c]carbazole?
10-isoquinolin-1-yl-7-(1,10-phenanthrolin-5-yl)benzo[c]carbazole;7-(1,10-phenanthrolin-5-yl)-10-pyridin-2-ylbenzo[c]carbazole;7-(1,10-phenanthrolin-5-yl)-10-pyridin-3-ylbenzo[c]carbazole;10-[5-(1,10-phenanthrolin-5-yl)-2-pyridinyl]-7-quinolin-2-ylbenzo[c]carbazole has a molecular weight of 2067.41 g/mol, XLogP of 35.75, 9 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 10-isoquinolin-1-yl-7-(1,10-phenanthrolin-5-yl)benzo[c]carbazole;7-(1,10-phenanthrolin-5-yl)-10-pyridin-2-ylbenzo[c]carbazole;7-(1,10-phenanthrolin-5-yl)-10-pyridin-3-ylbenzo[c]carbazole;10-[5-(1,10-phenanthrolin-5-yl)-2-pyridinyl]-7-quinolin-2-ylbenzo[c]carbazole is sourced from PubChem (CID 159858649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).