9-[3-[9-[3,5-bis(pyrido[2,3-b]indol-9-yl)phenyl]fluoren-9-yl]-5-pyrido[2,3-b]indol-9-ylphenyl]pyrido[2,3-b]indole

C69H42N8 — CID 58142001

IUPAC9-[3-[9-[3,5-bis(pyrido[2,3-b]indol-9-yl)phenyl]fluoren-9-yl]-5-pyrido[2,3-b]indol-9-ylphenyl]pyrido[2,3-b]indole
SMILESc1ccc2c(c1)-c1ccccc1C2(c1cc(-n2c3ccccc3c3cccnc32)cc(-n2c3ccccc3c3cccnc32)c1)c1cc(-n2c3ccccc3c3cccnc32)cc(-n2c3ccccc3c3cccnc32)c1
InChIInChI=1S/C69H42N8/c1-7-27-59-49(17-1)50-18-2-8-28-60(50)69(59,43-37-45(74-61-29-9-3-19-51(61)55-23-13-33-70-65(55)74)41-46(38-43)75-62-30-10-4-20-52(62)56-24-14-34-71-66(56)75)44-39-47(76-63-31-11-5-21-53(63)57-25-15-35-72-67(57)76)42-48(40-44)77-64-32-12-6-22-54(64)58-26-16-36-73-68(58)77/h1-42H
InChIKeyOQHUPIPUARQTKI-UHFFFAOYSA-N
MW983.15 g/mol
LogP16.02
Rot. Bonds6

About 9-[3-[9-[3,5-bis(pyrido[2,3-b]indol-9-yl)phenyl]fluoren-9-yl]-5-pyrido[2,3-b]indol-9-ylphenyl]pyrido[2,3-b]indole

9-[3-[9-[3,5-bis(pyrido[2,3-b]indol-9-yl)phenyl]fluoren-9-yl]-5-pyrido[2,3-b]indol-9-ylphenyl]pyrido[2,3-b]indole (PubChem CID 58142001) has the molecular formula C69H42N8 and a molecular weight of 983.15 g/mol. Its IUPAC name is 9-[3-[9-[3,5-bis(pyrido[2,3-b]indol-9-yl)phenyl]fluoren-9-yl]-5-pyrido[2,3-b]indol-9-ylphenyl]pyrido[2,3-b]indole.

Molecular Properties

Compound Name9-[3-[9-[3,5-bis(pyrido[2,3-b]indol-9-yl)phenyl]fluoren-9-yl]-5-pyrido[2,3-b]indol-9-ylphenyl]pyrido[2,3-b]indole
PubChem CID58142001
Molecular FormulaC69H42N8
Molecular Weight983.15 g/mol
Exact Mass982.35
IUPAC Name9-[3-[9-[3,5-bis(pyrido[2,3-b]indol-9-yl)phenyl]fluoren-9-yl]-5-pyrido[2,3-b]indol-9-ylphenyl]pyrido[2,3-b]indole
SMILESc1ccc2c(c1)-c1ccccc1C2(c1cc(-n2c3ccccc3c3cccnc32)cc(-n2c3ccccc3c3cccnc32)c1)c1cc(-n2c3ccccc3c3cccnc32)cc(-n2c3ccccc3c3cccnc32)c1
InChIInChI=1S/C69H42N8/c1-7-27-59-49(17-1)50-18-2-8-28-60(50)69(59,43-37-45(74-61-29-9-3-19-51(61)55-23-13-33-70-65(55)74)41-46(38-43)75-62-30-10-4-20-52(62)56-24-14-34-71-66(56)75)44-39-47(76-63-31-11-5-21-53(63)57-25-15-35-72-67(57)76)42-48(40-44)77-64-32-12-6-22-54(64)58-26-16-36-73-68(58)77/h1-42H
InChIKeyOQHUPIPUARQTKI-UHFFFAOYSA-N
XLogP16.02
TPSA71.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500983.15
LogP ≤ 516.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 9-[3-[9-[3,5-bis(pyrido[2,3-b]indol-9-yl)phenyl]fluoren-9-yl]-5-pyrido[2,3-b]indol-9-ylphenyl]pyrido[2,3-b]indole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-[3-[9-[3,5-bis(pyrido[2,3-b]indol-9-yl)phenyl]fluoren-9-yl]-5-pyrido[2,3-b]indol-9-ylphenyl]pyrido[2,3-b]indole?
The IUPAC name of 9-[3-[9-[3,5-bis(pyrido[2,3-b]indol-9-yl)phenyl]fluoren-9-yl]-5-pyrido[2,3-b]indol-9-ylphenyl]pyrido[2,3-b]indole (CID 58142001) is 9-[3-[9-[3,5-bis(pyrido[2,3-b]indol-9-yl)phenyl]fluoren-9-yl]-5-pyrido[2,3-b]indol-9-ylphenyl]pyrido[2,3-b]indole.
What is the SMILES notation for 9-[3-[9-[3,5-bis(pyrido[2,3-b]indol-9-yl)phenyl]fluoren-9-yl]-5-pyrido[2,3-b]indol-9-ylphenyl]pyrido[2,3-b]indole?
The canonical SMILES for 9-[3-[9-[3,5-bis(pyrido[2,3-b]indol-9-yl)phenyl]fluoren-9-yl]-5-pyrido[2,3-b]indol-9-ylphenyl]pyrido[2,3-b]indole is c1ccc2c(c1)-c1ccccc1C2(c1cc(-n2c3ccccc3c3cccnc32)cc(-n2c3ccccc3c3cccnc32)c1)c1cc(-n2c3ccccc3c3cccnc32)cc(-n2c3ccccc3c3cccnc32)c1.
What is the InChIKey of 9-[3-[9-[3,5-bis(pyrido[2,3-b]indol-9-yl)phenyl]fluoren-9-yl]-5-pyrido[2,3-b]indol-9-ylphenyl]pyrido[2,3-b]indole?
The InChIKey is OQHUPIPUARQTKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H42N8/c1-7-27-59-49(17-1)50-18-2-8-28-60(50)69(59,43-37-45(74-61-29-9-3-19-51(61)55-23-13-33-70-65(55)74)41-46(38-43)75-62-30-10-4-20-52(62)56-24-14-34-71-66(56)75)44-39-47(76-63-31-11-5-21-53(63)57-25-15-35-72-67(57)76)42-48(40-44)77-64-32-12-6-22-54(64)58-26-16-36-73-68(58)77/h1-42H.
What are the key properties of 9-[3-[9-[3,5-bis(pyrido[2,3-b]indol-9-yl)phenyl]fluoren-9-yl]-5-pyrido[2,3-b]indol-9-ylphenyl]pyrido[2,3-b]indole?
9-[3-[9-[3,5-bis(pyrido[2,3-b]indol-9-yl)phenyl]fluoren-9-yl]-5-pyrido[2,3-b]indol-9-ylphenyl]pyrido[2,3-b]indole has a molecular weight of 983.15 g/mol, XLogP of 16.02, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[9-[3,5-bis(pyrido[2,3-b]indol-9-yl)phenyl]fluoren-9-yl]-5-pyrido[2,3-b]indol-9-ylphenyl]pyrido[2,3-b]indole is sourced from PubChem (CID 58142001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).