2-[4-(2-hydroxypropan-2-yl)-2,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]propan-2-ol

C72H54N4O2 — CID 87406306

IUPAC2-[4-(2-hydroxypropan-2-yl)-2,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]propan-2-ol
SMILESCC(C)(O)c1cc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc32)c(C(C)(C)O)cc1-n1c2ccccc2c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc21
InChIInChI=1S/C72H54N4O2/c1-71(2,77)59-43-70(76-64-30-18-14-26-54(64)58-42-48(34-38-68(58)76)46-32-36-66-56(40-46)52-24-12-16-28-62(52)74(66)50-21-9-6-10-22-50)60(72(3,4)78)44-69(59)75-63-29-17-13-25-53(63)57-41-47(33-37-67(57)75)45-31-35-65-55(39-45)51-23-11-15-27-61(51)73(65)49-19-7-5-8-20-49/h5-44,77-78H,1-4H3
InChIKeyMIZQEKGYBQMXNG-UHFFFAOYSA-N
MW1007.25 g/mol
LogP17.86
Rot. Bonds8

About 2-[4-(2-hydroxypropan-2-yl)-2,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]propan-2-ol

2-[4-(2-hydroxypropan-2-yl)-2,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]propan-2-ol (PubChem CID 87406306) has the molecular formula C72H54N4O2 and a molecular weight of 1007.25 g/mol. Its IUPAC name is 2-[4-(2-hydroxypropan-2-yl)-2,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]propan-2-ol.

Molecular Properties

Compound Name2-[4-(2-hydroxypropan-2-yl)-2,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]propan-2-ol
PubChem CID87406306
Molecular FormulaC72H54N4O2
Molecular Weight1007.25 g/mol
Exact Mass1006.42
IUPAC Name2-[4-(2-hydroxypropan-2-yl)-2,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]propan-2-ol
SMILESCC(C)(O)c1cc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc32)c(C(C)(C)O)cc1-n1c2ccccc2c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc21
InChIInChI=1S/C72H54N4O2/c1-71(2,77)59-43-70(76-64-30-18-14-26-54(64)58-42-48(34-38-68(58)76)46-32-36-66-56(40-46)52-24-12-16-28-62(52)74(66)50-21-9-6-10-22-50)60(72(3,4)78)44-69(59)75-63-29-17-13-25-53(63)57-41-47(33-37-67(57)75)45-31-35-65-55(39-45)51-23-11-15-27-61(51)73(65)49-19-7-5-8-20-49/h5-44,77-78H,1-4H3
InChIKeyMIZQEKGYBQMXNG-UHFFFAOYSA-N
XLogP17.86
TPSA60.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001007.25
LogP ≤ 517.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-(2-hydroxypropan-2-yl)-2,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxypropan-2-yl)-2,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]propan-2-ol?
The IUPAC name of 2-[4-(2-hydroxypropan-2-yl)-2,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]propan-2-ol (CID 87406306) is 2-[4-(2-hydroxypropan-2-yl)-2,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]propan-2-ol.
What is the SMILES notation for 2-[4-(2-hydroxypropan-2-yl)-2,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]propan-2-ol?
The canonical SMILES for 2-[4-(2-hydroxypropan-2-yl)-2,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]propan-2-ol is CC(C)(O)c1cc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc32)c(C(C)(C)O)cc1-n1c2ccccc2c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc21.
What is the InChIKey of 2-[4-(2-hydroxypropan-2-yl)-2,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]propan-2-ol?
The InChIKey is MIZQEKGYBQMXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H54N4O2/c1-71(2,77)59-43-70(76-64-30-18-14-26-54(64)58-42-48(34-38-68(58)76)46-32-36-66-56(40-46)52-24-12-16-28-62(52)74(66)50-21-9-6-10-22-50)60(72(3,4)78)44-69(59)75-63-29-17-13-25-53(63)57-41-47(33-37-67(57)75)45-31-35-65-55(39-45)51-23-11-15-27-61(51)73(65)49-19-7-5-8-20-49/h5-44,77-78H,1-4H3.
What are the key properties of 2-[4-(2-hydroxypropan-2-yl)-2,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]propan-2-ol?
2-[4-(2-hydroxypropan-2-yl)-2,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]propan-2-ol has a molecular weight of 1007.25 g/mol, XLogP of 17.86, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxypropan-2-yl)-2,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]propan-2-ol is sourced from PubChem (CID 87406306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).