9-phenyl-4-(3-phenyl-9,9'-spirobi[xanthene]-3'-yl)carbazole

C49H31NO2 — CID 118698161

IUPAC9-phenyl-4-(3-phenyl-9,9'-spirobi[xanthene]-3'-yl)carbazole
SMILESc1ccc(-c2ccc3c(c2)Oc2ccccc2C32c3ccccc3Oc3cc(-c4cccc5c4c4ccccc4n5-c4ccccc4)ccc32)cc1
InChIInChI=1S/C49H31NO2/c1-3-14-32(15-4-1)33-26-28-40-46(30-33)51-44-24-11-8-20-38(44)49(40)39-21-9-12-25-45(39)52-47-31-34(27-29-41(47)49)36-19-13-23-43-48(36)37-18-7-10-22-42(37)50(43)35-16-5-2-6-17-35/h1-31H
InChIKeyZDNMXCKBPQSFDG-UHFFFAOYSA-N
MW665.79 g/mol
LogP12.71
Rot. Bonds3

About 9-phenyl-4-(3-phenyl-9,9'-spirobi[xanthene]-3'-yl)carbazole

9-phenyl-4-(3-phenyl-9,9'-spirobi[xanthene]-3'-yl)carbazole (PubChem CID 118698161) has the molecular formula C49H31NO2 and a molecular weight of 665.79 g/mol. Its IUPAC name is 9-phenyl-4-(3-phenyl-9,9'-spirobi[xanthene]-3'-yl)carbazole.

Molecular Properties

Compound Name9-phenyl-4-(3-phenyl-9,9'-spirobi[xanthene]-3'-yl)carbazole
PubChem CID118698161
Molecular FormulaC49H31NO2
Molecular Weight665.79 g/mol
Exact Mass665.24
IUPAC Name9-phenyl-4-(3-phenyl-9,9'-spirobi[xanthene]-3'-yl)carbazole
SMILESc1ccc(-c2ccc3c(c2)Oc2ccccc2C32c3ccccc3Oc3cc(-c4cccc5c4c4ccccc4n5-c4ccccc4)ccc32)cc1
InChIInChI=1S/C49H31NO2/c1-3-14-32(15-4-1)33-26-28-40-46(30-33)51-44-24-11-8-20-38(44)49(40)39-21-9-12-25-45(39)52-47-31-34(27-29-41(47)49)36-19-13-23-43-48(36)37-18-7-10-22-42(37)50(43)35-16-5-2-6-17-35/h1-31H
InChIKeyZDNMXCKBPQSFDG-UHFFFAOYSA-N
XLogP12.71
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500665.79
LogP ≤ 512.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-phenyl-4-(3-phenyl-9,9'-spirobi[xanthene]-4'-yl)carbazole
CID 118698170
9-phenyl-4-(1-phenyl-9,9'-spirobi[xanthene]-1'-yl)carbazole
CID 118698167
3'-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-3-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]
CID 142509888
4-(3-phenylphenyl)-9-(4-phenylphenyl)carbazole
CID 166660662
9-phenyl-3-spiro[fluorene-9,9'-xanthene]-2-ylcarbazole
CID 177298584
9-phenyl-1-(1-phenyl-9,9'-spirobi[xanthene]-4'-yl)carbazole;9-phenyl-1-(2'-phenyl-9,9'-spirobi[xanthene]-3-yl)carbazole;9-phenyl-1-(3-phenyl-9,9'-spirobi[xanthene]-3'-yl)carbazole;9-phenyl-1-(4'-phenyl-9,9'-spirobi[xanthene]-3-yl)carbazole
CID 160615225
5-[3-(9-phenylcarbazol-3-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene]
CID 118880607
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-phenylphenyl)-3-spiro[fluorene-9,9'-xanthene]-4-ylaniline
CID 90154111
9-phenyl-4-(2-phenyl-9,9'-spirobi[thioxanthene]-4'-yl)carbazole;9-phenyl-4-(3-phenyl-9,9'-spirobi[thioxanthene]-4'-yl)carbazole;9-phenyl-4-(4-phenyl-9,9'-spirobi[thioxanthene]-4'-yl)carbazole;9-phenyl-4-(8'-phenyl-9,9'-spirobi[xanthene]-1'-yl)carbazole
CID 159259452
3-(9-phenylcarbazol-3-yl)-9-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)carbazole
CID 146759591
5-[4-(9-phenylcarbazol-3-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene]
CID 130288373
3,3'-diphenyl-9,9'-spirobi[xanthene]
CID 118698118

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-4-(3-phenyl-9,9'-spirobi[xanthene]-3'-yl)carbazole?
The IUPAC name of 9-phenyl-4-(3-phenyl-9,9'-spirobi[xanthene]-3'-yl)carbazole (CID 118698161) is 9-phenyl-4-(3-phenyl-9,9'-spirobi[xanthene]-3'-yl)carbazole.
What is the SMILES notation for 9-phenyl-4-(3-phenyl-9,9'-spirobi[xanthene]-3'-yl)carbazole?
The canonical SMILES for 9-phenyl-4-(3-phenyl-9,9'-spirobi[xanthene]-3'-yl)carbazole is c1ccc(-c2ccc3c(c2)Oc2ccccc2C32c3ccccc3Oc3cc(-c4cccc5c4c4ccccc4n5-c4ccccc4)ccc32)cc1.
What is the InChIKey of 9-phenyl-4-(3-phenyl-9,9'-spirobi[xanthene]-3'-yl)carbazole?
The InChIKey is ZDNMXCKBPQSFDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H31NO2/c1-3-14-32(15-4-1)33-26-28-40-46(30-33)51-44-24-11-8-20-38(44)49(40)39-21-9-12-25-45(39)52-47-31-34(27-29-41(47)49)36-19-13-23-43-48(36)37-18-7-10-22-42(37)50(43)35-16-5-2-6-17-35/h1-31H.
What are the key properties of 9-phenyl-4-(3-phenyl-9,9'-spirobi[xanthene]-3'-yl)carbazole?
9-phenyl-4-(3-phenyl-9,9'-spirobi[xanthene]-3'-yl)carbazole has a molecular weight of 665.79 g/mol, XLogP of 12.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-4-(3-phenyl-9,9'-spirobi[xanthene]-3'-yl)carbazole is sourced from PubChem (CID 118698161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).