3'-carbazol-9-yl-5-[3-[2-[2-(4-carbazol-9-ylphenyl)ethyl]phenyl]-4-methylphenyl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]

C68H46N4O — CID 163451431

IUPAC3'-carbazol-9-yl-5-[3-[2-[2-(4-carbazol-9-ylphenyl)ethyl]phenyl]-4-methylphenyl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]
SMILESCc1ccc(-c2cnc3c(c2)C2(c4ccccc4Oc4cc(-n5c6ccccc6c6ccccc65)ccc42)c2cccnc2-3)cc1-c1ccccc1CCc1ccc(-n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C68H46N4O/c1-43-28-32-46(39-55(43)50-16-3-2-15-45(50)33-29-44-30-34-48(35-31-44)71-60-23-9-4-17-51(60)52-18-5-10-24-61(52)71)47-40-59-67(70-42-47)66-58(22-14-38-69-66)68(59)56-21-8-13-27-64(56)73-65-41-49(36-37-57(65)68)72-62-25-11-6-19-53(62)54-20-7-12-26-63(54)72/h2-28,30-32,34-42H,29,33H2,1H3
InChIKeyBGYCOGXIVKEQHC-UHFFFAOYSA-N
MW935.14 g/mol
LogP16.57
Rot. Bonds7

About 3'-carbazol-9-yl-5-[3-[2-[2-(4-carbazol-9-ylphenyl)ethyl]phenyl]-4-methylphenyl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]

3'-carbazol-9-yl-5-[3-[2-[2-(4-carbazol-9-ylphenyl)ethyl]phenyl]-4-methylphenyl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene] (PubChem CID 163451431) has the molecular formula C68H46N4O and a molecular weight of 935.14 g/mol. Its IUPAC name is 3'-carbazol-9-yl-5-[3-[2-[2-(4-carbazol-9-ylphenyl)ethyl]phenyl]-4-methylphenyl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene].

Molecular Properties

Compound Name3'-carbazol-9-yl-5-[3-[2-[2-(4-carbazol-9-ylphenyl)ethyl]phenyl]-4-methylphenyl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]
PubChem CID163451431
Molecular FormulaC68H46N4O
Molecular Weight935.14 g/mol
Exact Mass934.37
IUPAC Name3'-carbazol-9-yl-5-[3-[2-[2-(4-carbazol-9-ylphenyl)ethyl]phenyl]-4-methylphenyl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]
SMILESCc1ccc(-c2cnc3c(c2)C2(c4ccccc4Oc4cc(-n5c6ccccc6c6ccccc65)ccc42)c2cccnc2-3)cc1-c1ccccc1CCc1ccc(-n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C68H46N4O/c1-43-28-32-46(39-55(43)50-16-3-2-15-45(50)33-29-44-30-34-48(35-31-44)71-60-23-9-4-17-51(60)52-18-5-10-24-61(52)71)47-40-59-67(70-42-47)66-58(22-14-38-69-66)68(59)56-21-8-13-27-64(56)73-65-41-49(36-37-57(65)68)72-62-25-11-6-19-53(62)54-20-7-12-26-63(54)72/h2-28,30-32,34-42H,29,33H2,1H3
InChIKeyBGYCOGXIVKEQHC-UHFFFAOYSA-N
XLogP16.57
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500935.14
LogP ≤ 516.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3'-carbazol-9-yl-5-[3-[2-[2-(4-carbazol-9-ylphenyl)ethyl]phenyl]-4-methylphenyl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene] with MolForge

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

Launch Full Analysis

Related Compounds

3'-carbazol-9-yl-5-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]
CID 146656046
5,6'-di(carbazol-9-yl)-2'-[9-(5-carbazol-9-yl-3-pyridinyl)carbazol-3-yl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]
CID 146654531
3'-carbazol-9-yl-6'-[9-(5-carbazol-9-yl-3-pyridinyl)carbazol-3-yl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]
CID 146655805
5,6'-di(carbazol-9-yl)-2'-[9-(3-carbazol-9-yl-2-pyridinyl)carbazol-3-yl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]
CID 146654524
2'-carbazol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]
CID 146654397
3'-carbazol-9-yl-6'-(3-phenoxazin-10-ylcarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]
CID 146655393
9-(3-carbazol-9-ylphenyl)-6-[5,6'-di(carbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-2'-yl]carbazole-3-carbonitrile
CID 146656107
2'-carbazol-9-yl-7'-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]
CID 146656062
1',6'-di(carbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]
CID 146655287
3',5'-bis(9-phenylcarbazol-3-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]
CID 146656087
9-[7'-[9-(2-carbazol-9-ylphenyl)carbazol-3-yl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-3'-yl]carbazole-3-carbonitrile
CID 146656131
3'-(3-phenothiazin-10-ylcarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]
CID 146654552

Frequently Asked Questions

What is the IUPAC name of 3'-carbazol-9-yl-5-[3-[2-[2-(4-carbazol-9-ylphenyl)ethyl]phenyl]-4-methylphenyl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]?
The IUPAC name of 3'-carbazol-9-yl-5-[3-[2-[2-(4-carbazol-9-ylphenyl)ethyl]phenyl]-4-methylphenyl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene] (CID 163451431) is 3'-carbazol-9-yl-5-[3-[2-[2-(4-carbazol-9-ylphenyl)ethyl]phenyl]-4-methylphenyl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene].
What is the SMILES notation for 3'-carbazol-9-yl-5-[3-[2-[2-(4-carbazol-9-ylphenyl)ethyl]phenyl]-4-methylphenyl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]?
The canonical SMILES for 3'-carbazol-9-yl-5-[3-[2-[2-(4-carbazol-9-ylphenyl)ethyl]phenyl]-4-methylphenyl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene] is Cc1ccc(-c2cnc3c(c2)C2(c4ccccc4Oc4cc(-n5c6ccccc6c6ccccc65)ccc42)c2cccnc2-3)cc1-c1ccccc1CCc1ccc(-n2c3ccccc3c3ccccc32)cc1.
What is the InChIKey of 3'-carbazol-9-yl-5-[3-[2-[2-(4-carbazol-9-ylphenyl)ethyl]phenyl]-4-methylphenyl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]?
The InChIKey is BGYCOGXIVKEQHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H46N4O/c1-43-28-32-46(39-55(43)50-16-3-2-15-45(50)33-29-44-30-34-48(35-31-44)71-60-23-9-4-17-51(60)52-18-5-10-24-61(52)71)47-40-59-67(70-42-47)66-58(22-14-38-69-66)68(59)56-21-8-13-27-64(56)73-65-41-49(36-37-57(65)68)72-62-25-11-6-19-53(62)54-20-7-12-26-63(54)72/h2-28,30-32,34-42H,29,33H2,1H3.
What are the key properties of 3'-carbazol-9-yl-5-[3-[2-[2-(4-carbazol-9-ylphenyl)ethyl]phenyl]-4-methylphenyl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]?
3'-carbazol-9-yl-5-[3-[2-[2-(4-carbazol-9-ylphenyl)ethyl]phenyl]-4-methylphenyl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene] has a molecular weight of 935.14 g/mol, XLogP of 16.57, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-carbazol-9-yl-5-[3-[2-[2-(4-carbazol-9-ylphenyl)ethyl]phenyl]-4-methylphenyl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene] is sourced from PubChem (CID 163451431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).