9-(9-phenylcarbazol-2-yl)xanthene-9-carbaldehyde

C32H21NO2 — CID 175211994

IUPAC9-(9-phenylcarbazol-2-yl)xanthene-9-carbaldehyde
SMILESO=CC1(c2ccc3c4ccccc4n(-c4ccccc4)c3c2)c2ccccc2Oc2ccccc21
InChIInChI=1S/C32H21NO2/c34-21-32(26-13-5-8-16-30(26)35-31-17-9-6-14-27(31)32)22-18-19-25-24-12-4-7-15-28(24)33(29(25)20-22)23-10-2-1-3-11-23/h1-21H
InChIKeyJQFNXHDBJJMDNR-UHFFFAOYSA-N
MW451.53 g/mol
LogP7.42
Rot. Bonds3

About 9-(9-phenylcarbazol-2-yl)xanthene-9-carbaldehyde

9-(9-phenylcarbazol-2-yl)xanthene-9-carbaldehyde (PubChem CID 175211994) has the molecular formula C32H21NO2 and a molecular weight of 451.53 g/mol. Its IUPAC name is 9-(9-phenylcarbazol-2-yl)xanthene-9-carbaldehyde.

Molecular Properties

Compound Name9-(9-phenylcarbazol-2-yl)xanthene-9-carbaldehyde
PubChem CID175211994
Molecular FormulaC32H21NO2
Molecular Weight451.53 g/mol
Exact Mass451.16
IUPAC Name9-(9-phenylcarbazol-2-yl)xanthene-9-carbaldehyde
SMILESO=CC1(c2ccc3c4ccccc4n(-c4ccccc4)c3c2)c2ccccc2Oc2ccccc21
InChIInChI=1S/C32H21NO2/c34-21-32(26-13-5-8-16-30(26)35-31-17-9-6-14-27(31)32)22-18-19-25-24-12-4-7-15-28(24)33(29(25)20-22)23-10-2-1-3-11-23/h1-21H
InChIKeyJQFNXHDBJJMDNR-UHFFFAOYSA-N
XLogP7.42
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.53
LogP ≤ 57.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

9-phenyl-3-(9-phenylxanthen-9-yl)carbazole
CID 134164714
9-phenyl-N-spiro[fluorene-9,9'-xanthene]-2-ylcarbazol-2-amine
CID 169305049
5,15-diphenylspiro[5,15-diazaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.018,23]heptacosa-1(16),2(14),3,6,8,10,12,17(25),18,20,22,26-dodecaene-24,9'-xanthene]
CID 118614743
2-carbazol-9-yl-9-phenylcarbazole
CID 118335086
10'-phenyl-10-(9-phenylcarbazol-3-yl)spiro[21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-acridine]
CID 134351848
3-[3-(9,9-dimethylxanthen-2-yl)phenyl]-9-phenylcarbazole
CID 177126786
9-phenyl-3-spiro[fluorene-9,9'-xanthene]-2-ylcarbazole
CID 177298584
4,15-diphenyl-19,26-dioxa-4,15-diazaheptacyclo[14.12.0.02,14.03,11.05,10.018,27.020,25]octacosa-1(28),2(14),3(11),5,7,9,12,16,18(27),20,22,24-dodecaene
CID 145390349
5-[4-(9-phenylcarbazol-3-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene]
CID 130288373
9-phenyl-3-[7'-(9-phenylcarbazol-3-yl)spiro[fluorene-9,9'-xanthene]-2'-yl]carbazole
CID 167178048
9-phenyl-6-(9-phenylcarbazol-3-yl)-2-(9-phenylfluoren-9-yl)carbazole
CID 118145084
3-(2-phenyl-1,3-benzodioxol-2-yl)-9-(4-phenylphenyl)carbazole
CID 163871133

Frequently Asked Questions

What is the IUPAC name of 9-(9-phenylcarbazol-2-yl)xanthene-9-carbaldehyde?
The IUPAC name of 9-(9-phenylcarbazol-2-yl)xanthene-9-carbaldehyde (CID 175211994) is 9-(9-phenylcarbazol-2-yl)xanthene-9-carbaldehyde.
What is the SMILES notation for 9-(9-phenylcarbazol-2-yl)xanthene-9-carbaldehyde?
The canonical SMILES for 9-(9-phenylcarbazol-2-yl)xanthene-9-carbaldehyde is O=CC1(c2ccc3c4ccccc4n(-c4ccccc4)c3c2)c2ccccc2Oc2ccccc21.
What is the InChIKey of 9-(9-phenylcarbazol-2-yl)xanthene-9-carbaldehyde?
The InChIKey is JQFNXHDBJJMDNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H21NO2/c34-21-32(26-13-5-8-16-30(26)35-31-17-9-6-14-27(31)32)22-18-19-25-24-12-4-7-15-28(24)33(29(25)20-22)23-10-2-1-3-11-23/h1-21H.
What are the key properties of 9-(9-phenylcarbazol-2-yl)xanthene-9-carbaldehyde?
9-(9-phenylcarbazol-2-yl)xanthene-9-carbaldehyde has a molecular weight of 451.53 g/mol, XLogP of 7.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(9-phenylcarbazol-2-yl)xanthene-9-carbaldehyde is sourced from PubChem (CID 175211994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).