2-[4-[4-[2-[4-[4-(1H-benzo[g]indol-2-yl)phenyl]phenyl]-6-pyridin-4-yl-3-pyridinyl]phenyl]phenyl]-1H-benzo[g]indole

C58H38N4 — CID 150170438

IUPAC2-[4-[4-[2-[4-[4-(1H-benzo[g]indol-2-yl)phenyl]phenyl]-6-pyridin-4-yl-3-pyridinyl]phenyl]phenyl]-1H-benzo[g]indole
SMILESc1ccc2c(c1)ccc1cc(-c3ccc(-c4ccc(-c5ccc(-c6ccncc6)nc5-c5ccc(-c6ccc(-c7cc8ccc9ccccc9c8[nH]7)cc6)cc5)cc4)cc3)[nH]c12
InChIInChI=1S/C58H38N4/c1-3-7-50-41(5-1)19-27-48-35-54(61-57(48)50)44-21-11-38(12-22-44)37-9-17-43(18-10-37)52-29-30-53(46-31-33-59-34-32-46)60-56(52)47-25-15-40(16-26-47)39-13-23-45(24-14-39)55-36-49-28-20-42-6-2-4-8-51(42)58(49)62-55/h1-36,61-62H
InChIKeyFJIAHKPSCJXGOK-UHFFFAOYSA-N
MW790.97 g/mol
LogP15.41
Rot. Bonds7

About 2-[4-[4-[2-[4-[4-(1H-benzo[g]indol-2-yl)phenyl]phenyl]-6-pyridin-4-yl-3-pyridinyl]phenyl]phenyl]-1H-benzo[g]indole

2-[4-[4-[2-[4-[4-(1H-benzo[g]indol-2-yl)phenyl]phenyl]-6-pyridin-4-yl-3-pyridinyl]phenyl]phenyl]-1H-benzo[g]indole (PubChem CID 150170438) has the molecular formula C58H38N4 and a molecular weight of 790.97 g/mol. Its IUPAC name is 2-[4-[4-[2-[4-[4-(1H-benzo[g]indol-2-yl)phenyl]phenyl]-6-pyridin-4-yl-3-pyridinyl]phenyl]phenyl]-1H-benzo[g]indole.

Molecular Properties

Compound Name2-[4-[4-[2-[4-[4-(1H-benzo[g]indol-2-yl)phenyl]phenyl]-6-pyridin-4-yl-3-pyridinyl]phenyl]phenyl]-1H-benzo[g]indole
PubChem CID150170438
Molecular FormulaC58H38N4
Molecular Weight790.97 g/mol
Exact Mass790.31
IUPAC Name2-[4-[4-[2-[4-[4-(1H-benzo[g]indol-2-yl)phenyl]phenyl]-6-pyridin-4-yl-3-pyridinyl]phenyl]phenyl]-1H-benzo[g]indole
SMILESc1ccc2c(c1)ccc1cc(-c3ccc(-c4ccc(-c5ccc(-c6ccncc6)nc5-c5ccc(-c6ccc(-c7cc8ccc9ccccc9c8[nH]7)cc6)cc5)cc4)cc3)[nH]c12
InChIInChI=1S/C58H38N4/c1-3-7-50-41(5-1)19-27-48-35-54(61-57(48)50)44-21-11-38(12-22-44)37-9-17-43(18-10-37)52-29-30-53(46-31-33-59-34-32-46)60-56(52)47-25-15-40(16-26-47)39-13-23-45(24-14-39)55-36-49-28-20-42-6-2-4-8-51(42)58(49)62-55/h1-36,61-62H
InChIKeyFJIAHKPSCJXGOK-UHFFFAOYSA-N
XLogP15.41
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500790.97
LogP ≤ 515.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[2-[4-[4-(1H-benzo[g]indol-2-yl)phenyl]phenyl]-6-pyridin-4-yl-3-pyridinyl]phenyl]phenyl]-1H-benzo[g]indole?
The IUPAC name of 2-[4-[4-[2-[4-[4-(1H-benzo[g]indol-2-yl)phenyl]phenyl]-6-pyridin-4-yl-3-pyridinyl]phenyl]phenyl]-1H-benzo[g]indole (CID 150170438) is 2-[4-[4-[2-[4-[4-(1H-benzo[g]indol-2-yl)phenyl]phenyl]-6-pyridin-4-yl-3-pyridinyl]phenyl]phenyl]-1H-benzo[g]indole.
What is the SMILES notation for 2-[4-[4-[2-[4-[4-(1H-benzo[g]indol-2-yl)phenyl]phenyl]-6-pyridin-4-yl-3-pyridinyl]phenyl]phenyl]-1H-benzo[g]indole?
The canonical SMILES for 2-[4-[4-[2-[4-[4-(1H-benzo[g]indol-2-yl)phenyl]phenyl]-6-pyridin-4-yl-3-pyridinyl]phenyl]phenyl]-1H-benzo[g]indole is c1ccc2c(c1)ccc1cc(-c3ccc(-c4ccc(-c5ccc(-c6ccncc6)nc5-c5ccc(-c6ccc(-c7cc8ccc9ccccc9c8[nH]7)cc6)cc5)cc4)cc3)[nH]c12.
What is the InChIKey of 2-[4-[4-[2-[4-[4-(1H-benzo[g]indol-2-yl)phenyl]phenyl]-6-pyridin-4-yl-3-pyridinyl]phenyl]phenyl]-1H-benzo[g]indole?
The InChIKey is FJIAHKPSCJXGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38N4/c1-3-7-50-41(5-1)19-27-48-35-54(61-57(48)50)44-21-11-38(12-22-44)37-9-17-43(18-10-37)52-29-30-53(46-31-33-59-34-32-46)60-56(52)47-25-15-40(16-26-47)39-13-23-45(24-14-39)55-36-49-28-20-42-6-2-4-8-51(42)58(49)62-55/h1-36,61-62H.
What are the key properties of 2-[4-[4-[2-[4-[4-(1H-benzo[g]indol-2-yl)phenyl]phenyl]-6-pyridin-4-yl-3-pyridinyl]phenyl]phenyl]-1H-benzo[g]indole?
2-[4-[4-[2-[4-[4-(1H-benzo[g]indol-2-yl)phenyl]phenyl]-6-pyridin-4-yl-3-pyridinyl]phenyl]phenyl]-1H-benzo[g]indole has a molecular weight of 790.97 g/mol, XLogP of 15.41, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[2-[4-[4-(1H-benzo[g]indol-2-yl)phenyl]phenyl]-6-pyridin-4-yl-3-pyridinyl]phenyl]phenyl]-1H-benzo[g]indole is sourced from PubChem (CID 150170438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).