24-(9-phenylcarbazol-3-yl)-9-oxa-25-azahexacyclo[15.8.0.02,10.03,8.011,16.018,23]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene

C41H24N2O — CID 126702233

IUPAC24-(9-phenylcarbazol-3-yl)-9-oxa-25-azahexacyclo[15.8.0.02,10.03,8.011,16.018,23]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene
SMILESc1ccc(-n2c3ccccc3c3cc(-c4nc5c(c6ccccc46)c4ccccc4c4oc6ccccc6c54)ccc32)cc1
InChIInChI=1S/C41H24N2O/c1-2-12-26(13-3-1)43-34-20-10-8-14-27(34)33-24-25(22-23-35(33)43)39-30-17-6-4-15-28(30)37-29-16-5-7-18-31(29)41-38(40(37)42-39)32-19-9-11-21-36(32)44-41/h1-24H
InChIKeyLQQNSEMCKJUSAK-UHFFFAOYSA-N
MW560.66 g/mol
LogP11.20
Rot. Bonds2

About 24-(9-phenylcarbazol-3-yl)-9-oxa-25-azahexacyclo[15.8.0.02,10.03,8.011,16.018,23]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene

24-(9-phenylcarbazol-3-yl)-9-oxa-25-azahexacyclo[15.8.0.02,10.03,8.011,16.018,23]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene (PubChem CID 126702233) has the molecular formula C41H24N2O and a molecular weight of 560.66 g/mol. Its IUPAC name is 24-(9-phenylcarbazol-3-yl)-9-oxa-25-azahexacyclo[15.8.0.02,10.03,8.011,16.018,23]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene.

Molecular Properties

Compound Name24-(9-phenylcarbazol-3-yl)-9-oxa-25-azahexacyclo[15.8.0.02,10.03,8.011,16.018,23]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene
PubChem CID126702233
Molecular FormulaC41H24N2O
Molecular Weight560.66 g/mol
Exact Mass560.19
IUPAC Name24-(9-phenylcarbazol-3-yl)-9-oxa-25-azahexacyclo[15.8.0.02,10.03,8.011,16.018,23]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene
SMILESc1ccc(-n2c3ccccc3c3cc(-c4nc5c(c6ccccc46)c4ccccc4c4oc6ccccc6c54)ccc32)cc1
InChIInChI=1S/C41H24N2O/c1-2-12-26(13-3-1)43-34-20-10-8-14-27(34)33-24-25(22-23-35(33)43)39-30-17-6-4-15-28(30)37-29-16-5-7-18-31(29)41-38(40(37)42-39)32-19-9-11-21-36(32)44-41/h1-24H
InChIKeyLQQNSEMCKJUSAK-UHFFFAOYSA-N
XLogP11.20
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.66
LogP ≤ 511.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 24-(9-phenylcarbazol-3-yl)-9-oxa-25-azahexacyclo[15.8.0.02,10.03,8.011,16.018,23]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene with MolForge

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Related Compounds

11,14-bis(9-phenylcarbazol-3-yl)-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene
CID 138513515
9-phenyl-3-[1-(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]carbazole
CID 149165800
3-[9-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-16-yl)carbazol-3-yl]-9-phenylcarbazole
CID 135171680
12-phenyl-6-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-a]carbazole
CID 134530399
12-phenyl-6-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-a]carbazole
CID 134530273
2-methyl-4-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-d]pyrimidine
CID 130266702
11-(1,10-phenanthrolin-5-yl)-14-(9-phenylcarbazol-3-yl)-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene
CID 138513032
6-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]phenanthridine
CID 121337166
18-[4-[3-[6-(9-phenylcarbazol-3-yl)-9-(4-phenylquinazolin-2-yl)carbazol-3-yl]phenyl]quinazolin-2-yl]-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene
CID 146615811
3-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)-6-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-16-yl)-9-phenylcarbazole
CID 142487806
3-dibenzofuran-4-yl-9-(9-phenylcarbazol-3-yl)carbazole
CID 170132775
5-[4-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 167193138

Frequently Asked Questions

What is the IUPAC name of 24-(9-phenylcarbazol-3-yl)-9-oxa-25-azahexacyclo[15.8.0.02,10.03,8.011,16.018,23]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene?
The IUPAC name of 24-(9-phenylcarbazol-3-yl)-9-oxa-25-azahexacyclo[15.8.0.02,10.03,8.011,16.018,23]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene (CID 126702233) is 24-(9-phenylcarbazol-3-yl)-9-oxa-25-azahexacyclo[15.8.0.02,10.03,8.011,16.018,23]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene.
What is the SMILES notation for 24-(9-phenylcarbazol-3-yl)-9-oxa-25-azahexacyclo[15.8.0.02,10.03,8.011,16.018,23]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene?
The canonical SMILES for 24-(9-phenylcarbazol-3-yl)-9-oxa-25-azahexacyclo[15.8.0.02,10.03,8.011,16.018,23]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene is c1ccc(-n2c3ccccc3c3cc(-c4nc5c(c6ccccc46)c4ccccc4c4oc6ccccc6c54)ccc32)cc1.
What is the InChIKey of 24-(9-phenylcarbazol-3-yl)-9-oxa-25-azahexacyclo[15.8.0.02,10.03,8.011,16.018,23]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene?
The InChIKey is LQQNSEMCKJUSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H24N2O/c1-2-12-26(13-3-1)43-34-20-10-8-14-27(34)33-24-25(22-23-35(33)43)39-30-17-6-4-15-28(30)37-29-16-5-7-18-31(29)41-38(40(37)42-39)32-19-9-11-21-36(32)44-41/h1-24H.
What are the key properties of 24-(9-phenylcarbazol-3-yl)-9-oxa-25-azahexacyclo[15.8.0.02,10.03,8.011,16.018,23]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene?
24-(9-phenylcarbazol-3-yl)-9-oxa-25-azahexacyclo[15.8.0.02,10.03,8.011,16.018,23]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene has a molecular weight of 560.66 g/mol, XLogP of 11.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 24-(9-phenylcarbazol-3-yl)-9-oxa-25-azahexacyclo[15.8.0.02,10.03,8.011,16.018,23]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene is sourced from PubChem (CID 126702233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).