N-[4-(3,6-diethylcarbazol-9-yl)phenyl]-N-[4-[3-[4-[4-(3,6-diethylcarbazol-9-yl)-N-quinolin-8-ylanilino]phenyl]quinoxalin-2-yl]phenyl]quinolin-8-amine

C82H64N8 — CID 59501128

IUPACN-[4-(3,6-diethylcarbazol-9-yl)phenyl]-N-[4-[3-[4-[4-(3,6-diethylcarbazol-9-yl)-N-quinolin-8-ylanilino]phenyl]quinoxalin-2-yl]phenyl]quinolin-8-amine
SMILESCCc1ccc2c(c1)c1cc(CC)ccc1n2-c1ccc(N(c2ccc(-c3nc4ccccc4nc3-c3ccc(N(c4ccc(-n5c6ccc(CC)cc6c6cc(CC)ccc65)cc4)c4cccc5cccnc45)cc3)cc2)c2cccc3cccnc23)cc1
InChIInChI=1S/C82H64N8/c1-5-53-23-43-73-67(49-53)68-50-54(6-2)24-44-74(68)89(73)65-39-35-63(36-40-65)87(77-21-11-15-57-17-13-47-83-79(57)77)61-31-27-59(28-32-61)81-82(86-72-20-10-9-19-71(72)85-81)60-29-33-62(34-30-60)88(78-22-12-16-58-18-14-48-84-80(58)78)64-37-41-66(42-38-64)90-75-45-25-55(7-3)51-69(75)70-52-56(8-4)26-46-76(70)90/h9-52H,5-8H2,1-4H3
InChIKeyJCXLVQRLCJHAND-UHFFFAOYSA-N
MW1161.47 g/mol
LogP21.44
Rot. Bonds14

About N-[4-(3,6-diethylcarbazol-9-yl)phenyl]-N-[4-[3-[4-[4-(3,6-diethylcarbazol-9-yl)-N-quinolin-8-ylanilino]phenyl]quinoxalin-2-yl]phenyl]quinolin-8-amine

N-[4-(3,6-diethylcarbazol-9-yl)phenyl]-N-[4-[3-[4-[4-(3,6-diethylcarbazol-9-yl)-N-quinolin-8-ylanilino]phenyl]quinoxalin-2-yl]phenyl]quinolin-8-amine (PubChem CID 59501128) has the molecular formula C82H64N8 and a molecular weight of 1161.47 g/mol. Its IUPAC name is N-[4-(3,6-diethylcarbazol-9-yl)phenyl]-N-[4-[3-[4-[4-(3,6-diethylcarbazol-9-yl)-N-quinolin-8-ylanilino]phenyl]quinoxalin-2-yl]phenyl]quinolin-8-amine.

Molecular Properties

Compound NameN-[4-(3,6-diethylcarbazol-9-yl)phenyl]-N-[4-[3-[4-[4-(3,6-diethylcarbazol-9-yl)-N-quinolin-8-ylanilino]phenyl]quinoxalin-2-yl]phenyl]quinolin-8-amine
PubChem CID59501128
Molecular FormulaC82H64N8
Molecular Weight1161.47 g/mol
Exact Mass1160.53
IUPAC NameN-[4-(3,6-diethylcarbazol-9-yl)phenyl]-N-[4-[3-[4-[4-(3,6-diethylcarbazol-9-yl)-N-quinolin-8-ylanilino]phenyl]quinoxalin-2-yl]phenyl]quinolin-8-amine
SMILESCCc1ccc2c(c1)c1cc(CC)ccc1n2-c1ccc(N(c2ccc(-c3nc4ccccc4nc3-c3ccc(N(c4ccc(-n5c6ccc(CC)cc6c6cc(CC)ccc65)cc4)c4cccc5cccnc45)cc3)cc2)c2cccc3cccnc23)cc1
InChIInChI=1S/C82H64N8/c1-5-53-23-43-73-67(49-53)68-50-54(6-2)24-44-74(68)89(73)65-39-35-63(36-40-65)87(77-21-11-15-57-17-13-47-83-79(57)77)61-31-27-59(28-32-61)81-82(86-72-20-10-9-19-71(72)85-81)60-29-33-62(34-30-60)88(78-22-12-16-58-18-14-48-84-80(58)78)64-37-41-66(42-38-64)90-75-45-25-55(7-3)51-69(75)70-52-56(8-4)26-46-76(70)90/h9-52H,5-8H2,1-4H3
InChIKeyJCXLVQRLCJHAND-UHFFFAOYSA-N
XLogP21.44
TPSA67.90 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms90
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001161.47
LogP ≤ 521.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N-[4-(3,6-diethylcarbazol-9-yl)phenyl]-N-[4-[3-[4-[4-(3,6-diethylcarbazol-9-yl)-N-quinolin-8-ylanilino]phenyl]quinoxalin-2-yl]phenyl]quinolin-8-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3,6-diethylcarbazol-9-yl)phenyl]-N-[4-[3-[4-[4-(3,6-diethylcarbazol-9-yl)-N-quinolin-8-ylanilino]phenyl]quinoxalin-2-yl]phenyl]quinolin-8-amine?
The IUPAC name of N-[4-(3,6-diethylcarbazol-9-yl)phenyl]-N-[4-[3-[4-[4-(3,6-diethylcarbazol-9-yl)-N-quinolin-8-ylanilino]phenyl]quinoxalin-2-yl]phenyl]quinolin-8-amine (CID 59501128) is N-[4-(3,6-diethylcarbazol-9-yl)phenyl]-N-[4-[3-[4-[4-(3,6-diethylcarbazol-9-yl)-N-quinolin-8-ylanilino]phenyl]quinoxalin-2-yl]phenyl]quinolin-8-amine.
What is the SMILES notation for N-[4-(3,6-diethylcarbazol-9-yl)phenyl]-N-[4-[3-[4-[4-(3,6-diethylcarbazol-9-yl)-N-quinolin-8-ylanilino]phenyl]quinoxalin-2-yl]phenyl]quinolin-8-amine?
The canonical SMILES for N-[4-(3,6-diethylcarbazol-9-yl)phenyl]-N-[4-[3-[4-[4-(3,6-diethylcarbazol-9-yl)-N-quinolin-8-ylanilino]phenyl]quinoxalin-2-yl]phenyl]quinolin-8-amine is CCc1ccc2c(c1)c1cc(CC)ccc1n2-c1ccc(N(c2ccc(-c3nc4ccccc4nc3-c3ccc(N(c4ccc(-n5c6ccc(CC)cc6c6cc(CC)ccc65)cc4)c4cccc5cccnc45)cc3)cc2)c2cccc3cccnc23)cc1.
What is the InChIKey of N-[4-(3,6-diethylcarbazol-9-yl)phenyl]-N-[4-[3-[4-[4-(3,6-diethylcarbazol-9-yl)-N-quinolin-8-ylanilino]phenyl]quinoxalin-2-yl]phenyl]quinolin-8-amine?
The InChIKey is JCXLVQRLCJHAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H64N8/c1-5-53-23-43-73-67(49-53)68-50-54(6-2)24-44-74(68)89(73)65-39-35-63(36-40-65)87(77-21-11-15-57-17-13-47-83-79(57)77)61-31-27-59(28-32-61)81-82(86-72-20-10-9-19-71(72)85-81)60-29-33-62(34-30-60)88(78-22-12-16-58-18-14-48-84-80(58)78)64-37-41-66(42-38-64)90-75-45-25-55(7-3)51-69(75)70-52-56(8-4)26-46-76(70)90/h9-52H,5-8H2,1-4H3.
What are the key properties of N-[4-(3,6-diethylcarbazol-9-yl)phenyl]-N-[4-[3-[4-[4-(3,6-diethylcarbazol-9-yl)-N-quinolin-8-ylanilino]phenyl]quinoxalin-2-yl]phenyl]quinolin-8-amine?
N-[4-(3,6-diethylcarbazol-9-yl)phenyl]-N-[4-[3-[4-[4-(3,6-diethylcarbazol-9-yl)-N-quinolin-8-ylanilino]phenyl]quinoxalin-2-yl]phenyl]quinolin-8-amine has a molecular weight of 1161.47 g/mol, XLogP of 21.44, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,6-diethylcarbazol-9-yl)phenyl]-N-[4-[3-[4-[4-(3,6-diethylcarbazol-9-yl)-N-quinolin-8-ylanilino]phenyl]quinoxalin-2-yl]phenyl]quinolin-8-amine is sourced from PubChem (CID 59501128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).