9-phenyl-4-(1-phenyl-9,9'-spirobi[xanthene]-1'-yl)carbazole

C49H31NO2 — CID 118698167

IUPAC9-phenyl-4-(1-phenyl-9,9'-spirobi[xanthene]-1'-yl)carbazole
SMILESc1ccc(-c2cccc3c2C2(c4ccccc4O3)c3ccccc3Oc3cccc(-c4cccc5c4c4ccccc4n5-c4ccccc4)c32)cc1
InChIInChI=1S/C49H31NO2/c1-3-16-32(17-4-1)34-21-14-30-44-47(34)49(38-24-8-11-28-42(38)51-44)39-25-9-12-29-43(39)52-45-31-15-23-36(48(45)49)35-22-13-27-41-46(35)37-20-7-10-26-40(37)50(41)33-18-5-2-6-19-33/h1-31H
InChIKeyVKWGPSNLMAGZQK-UHFFFAOYSA-N
MW665.79 g/mol
LogP12.71
Rot. Bonds3

About 9-phenyl-4-(1-phenyl-9,9'-spirobi[xanthene]-1'-yl)carbazole

9-phenyl-4-(1-phenyl-9,9'-spirobi[xanthene]-1'-yl)carbazole (PubChem CID 118698167) has the molecular formula C49H31NO2 and a molecular weight of 665.79 g/mol. Its IUPAC name is 9-phenyl-4-(1-phenyl-9,9'-spirobi[xanthene]-1'-yl)carbazole.

Molecular Properties

Compound Name9-phenyl-4-(1-phenyl-9,9'-spirobi[xanthene]-1'-yl)carbazole
PubChem CID118698167
Molecular FormulaC49H31NO2
Molecular Weight665.79 g/mol
Exact Mass665.24
IUPAC Name9-phenyl-4-(1-phenyl-9,9'-spirobi[xanthene]-1'-yl)carbazole
SMILESc1ccc(-c2cccc3c2C2(c4ccccc4O3)c3ccccc3Oc3cccc(-c4cccc5c4c4ccccc4n5-c4ccccc4)c32)cc1
InChIInChI=1S/C49H31NO2/c1-3-16-32(17-4-1)34-21-14-30-44-47(34)49(38-24-8-11-28-42(38)51-44)39-25-9-12-29-43(39)52-45-31-15-23-36(48(45)49)35-22-13-27-41-46(35)37-20-7-10-26-40(37)50(41)33-18-5-2-6-19-33/h1-31H
InChIKeyVKWGPSNLMAGZQK-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]-3'-yl)carbazole
CID 118698161
9-phenyl-4-(3-phenyl-9,9'-spirobi[xanthene]-4'-yl)carbazole
CID 118698170
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
1-(7',8'-diphenyl-9,9'-spirobi[xanthene]-1'-yl)-9-phenylcarbazole
CID 118698619
9-phenyl-N-(2-phenylphenyl)-N-(1'-phenylspiro[fluorene-9,9'-xanthene]-2-yl)carbazol-2-amine
CID 170240605
9-phenyl-4-(13-phenyl-8,21-dioxapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2(7),3,5,9,11,13,15,17,19,22,24-dodecaen-6-yl)carbazole
CID 118700580
N-(9,9-dimethylfluoren-2-yl)-4-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-1-amine
CID 146333533
9-phenyl-1-(1'-phenyl-9,9'-spirobi[xanthene]-2-yl)carbazole;9-phenyl-1-(2-phenyl-9,9'-spirobi[xanthene]-1'-yl)carbazole;9-phenyl-1-(3-phenyl-9,9'-spirobi[xanthene]-1'-yl)carbazole;9-phenyl-1-(4'-phenyl-9,9'-spirobi[xanthene]-1-yl)carbazole
CID 157405782
3-(9-phenylcarbazol-3-yl)-9-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)carbazole
CID 146759591
N-naphthalen-1-yl-5,5-diphenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]spiro[benzo[b][1]benzosiline-10,9'-xanthene]-2'-amine
CID 152980023
4-phenyl-9-[2-[4-(9-phenylcarbazol-4-yl)phenyl]phenyl]carbazole
CID 166037163
9-phenyl-3-spiro[fluorene-9,9'-xanthene]-2-ylcarbazole
CID 177298584

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-4-(1-phenyl-9,9'-spirobi[xanthene]-1'-yl)carbazole?
The IUPAC name of 9-phenyl-4-(1-phenyl-9,9'-spirobi[xanthene]-1'-yl)carbazole (CID 118698167) is 9-phenyl-4-(1-phenyl-9,9'-spirobi[xanthene]-1'-yl)carbazole.
What is the SMILES notation for 9-phenyl-4-(1-phenyl-9,9'-spirobi[xanthene]-1'-yl)carbazole?
The canonical SMILES for 9-phenyl-4-(1-phenyl-9,9'-spirobi[xanthene]-1'-yl)carbazole is c1ccc(-c2cccc3c2C2(c4ccccc4O3)c3ccccc3Oc3cccc(-c4cccc5c4c4ccccc4n5-c4ccccc4)c32)cc1.
What is the InChIKey of 9-phenyl-4-(1-phenyl-9,9'-spirobi[xanthene]-1'-yl)carbazole?
The InChIKey is VKWGPSNLMAGZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H31NO2/c1-3-16-32(17-4-1)34-21-14-30-44-47(34)49(38-24-8-11-28-42(38)51-44)39-25-9-12-29-43(39)52-45-31-15-23-36(48(45)49)35-22-13-27-41-46(35)37-20-7-10-26-40(37)50(41)33-18-5-2-6-19-33/h1-31H.
What are the key properties of 9-phenyl-4-(1-phenyl-9,9'-spirobi[xanthene]-1'-yl)carbazole?
9-phenyl-4-(1-phenyl-9,9'-spirobi[xanthene]-1'-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-(1-phenyl-9,9'-spirobi[xanthene]-1'-yl)carbazole is sourced from PubChem (CID 118698167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).