9-(22-carbazol-9-yl-16,30-dioxaoctacyclo[15.11.1.14,28.02,15.03,12.06,11.019,24.025,29]triaconta-1(28),2(15),3,5,7,9,11,13,17(29),18,20,22,24,26-tetradecaen-9-yl)carbazole

C52H28N2O2 — CID 59147773

IUPAC9-(22-carbazol-9-yl-16,30-dioxaoctacyclo[15.11.1.14,28.02,15.03,12.06,11.019,24.025,29]triaconta-1(28),2(15),3,5,7,9,11,13,17(29),18,20,22,24,26-tetradecaen-9-yl)carbazole
SMILESc1ccc2c(c1)c1ccccc1n2-c1ccc2cc3oc4ccc5c6cc(-n7c8ccccc8c8ccccc87)ccc6cc6oc7ccc(c2c1)c3c7-c4c65
InChIInChI=1S/C52H28N2O2/c1-5-13-41-33(9-1)34-10-2-6-14-42(34)53(41)31-19-17-29-25-47-49-37(39(29)27-31)21-23-45-51(49)52-46(55-47)24-22-38-40-28-32(20-18-30(40)26-48(56-45)50(38)52)54-43-15-7-3-11-35(43)36-12-4-8-16-44(36)54/h1-28H
InChIKeyBUQVCZGTXUSFSL-UHFFFAOYSA-N
MW712.81 g/mol
LogP14.53
Rot. Bonds2

About 9-(22-carbazol-9-yl-16,30-dioxaoctacyclo[15.11.1.14,28.02,15.03,12.06,11.019,24.025,29]triaconta-1(28),2(15),3,5,7,9,11,13,17(29),18,20,22,24,26-tetradecaen-9-yl)carbazole

9-(22-carbazol-9-yl-16,30-dioxaoctacyclo[15.11.1.14,28.02,15.03,12.06,11.019,24.025,29]triaconta-1(28),2(15),3,5,7,9,11,13,17(29),18,20,22,24,26-tetradecaen-9-yl)carbazole (PubChem CID 59147773) has the molecular formula C52H28N2O2 and a molecular weight of 712.81 g/mol. Its IUPAC name is 9-(22-carbazol-9-yl-16,30-dioxaoctacyclo[15.11.1.14,28.02,15.03,12.06,11.019,24.025,29]triaconta-1(28),2(15),3,5,7,9,11,13,17(29),18,20,22,24,26-tetradecaen-9-yl)carbazole.

Molecular Properties

Compound Name9-(22-carbazol-9-yl-16,30-dioxaoctacyclo[15.11.1.14,28.02,15.03,12.06,11.019,24.025,29]triaconta-1(28),2(15),3,5,7,9,11,13,17(29),18,20,22,24,26-tetradecaen-9-yl)carbazole
PubChem CID59147773
Molecular FormulaC52H28N2O2
Molecular Weight712.81 g/mol
Exact Mass712.22
IUPAC Name9-(22-carbazol-9-yl-16,30-dioxaoctacyclo[15.11.1.14,28.02,15.03,12.06,11.019,24.025,29]triaconta-1(28),2(15),3,5,7,9,11,13,17(29),18,20,22,24,26-tetradecaen-9-yl)carbazole
SMILESc1ccc2c(c1)c1ccccc1n2-c1ccc2cc3oc4ccc5c6cc(-n7c8ccccc8c8ccccc87)ccc6cc6oc7ccc(c2c1)c3c7-c4c65
InChIInChI=1S/C52H28N2O2/c1-5-13-41-33(9-1)34-10-2-6-14-42(34)53(41)31-19-17-29-25-47-49-37(39(29)27-31)21-23-45-51(49)52-46(55-47)24-22-38-40-28-32(20-18-30(40)26-48(56-45)50(38)52)54-43-15-7-3-11-35(43)36-12-4-8-16-44(36)54/h1-28H
InChIKeyBUQVCZGTXUSFSL-UHFFFAOYSA-N
XLogP14.53
TPSA36.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.81
LogP ≤ 514.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 9-(22-carbazol-9-yl-16,30-dioxaoctacyclo[15.11.1.14,28.02,15.03,12.06,11.019,24.025,29]triaconta-1(28),2(15),3,5,7,9,11,13,17(29),18,20,22,24,26-tetradecaen-9-yl)carbazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-(22-carbazol-9-yl-16,30-dioxaoctacyclo[15.11.1.14,28.02,15.03,12.06,11.019,24.025,29]triaconta-1(28),2(15),3,5,7,9,11,13,17(29),18,20,22,24,26-tetradecaen-9-yl)carbazole?
The IUPAC name of 9-(22-carbazol-9-yl-16,30-dioxaoctacyclo[15.11.1.14,28.02,15.03,12.06,11.019,24.025,29]triaconta-1(28),2(15),3,5,7,9,11,13,17(29),18,20,22,24,26-tetradecaen-9-yl)carbazole (CID 59147773) is 9-(22-carbazol-9-yl-16,30-dioxaoctacyclo[15.11.1.14,28.02,15.03,12.06,11.019,24.025,29]triaconta-1(28),2(15),3,5,7,9,11,13,17(29),18,20,22,24,26-tetradecaen-9-yl)carbazole.
What is the SMILES notation for 9-(22-carbazol-9-yl-16,30-dioxaoctacyclo[15.11.1.14,28.02,15.03,12.06,11.019,24.025,29]triaconta-1(28),2(15),3,5,7,9,11,13,17(29),18,20,22,24,26-tetradecaen-9-yl)carbazole?
The canonical SMILES for 9-(22-carbazol-9-yl-16,30-dioxaoctacyclo[15.11.1.14,28.02,15.03,12.06,11.019,24.025,29]triaconta-1(28),2(15),3,5,7,9,11,13,17(29),18,20,22,24,26-tetradecaen-9-yl)carbazole is c1ccc2c(c1)c1ccccc1n2-c1ccc2cc3oc4ccc5c6cc(-n7c8ccccc8c8ccccc87)ccc6cc6oc7ccc(c2c1)c3c7-c4c65.
What is the InChIKey of 9-(22-carbazol-9-yl-16,30-dioxaoctacyclo[15.11.1.14,28.02,15.03,12.06,11.019,24.025,29]triaconta-1(28),2(15),3,5,7,9,11,13,17(29),18,20,22,24,26-tetradecaen-9-yl)carbazole?
The InChIKey is BUQVCZGTXUSFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H28N2O2/c1-5-13-41-33(9-1)34-10-2-6-14-42(34)53(41)31-19-17-29-25-47-49-37(39(29)27-31)21-23-45-51(49)52-46(55-47)24-22-38-40-28-32(20-18-30(40)26-48(56-45)50(38)52)54-43-15-7-3-11-35(43)36-12-4-8-16-44(36)54/h1-28H.
What are the key properties of 9-(22-carbazol-9-yl-16,30-dioxaoctacyclo[15.11.1.14,28.02,15.03,12.06,11.019,24.025,29]triaconta-1(28),2(15),3,5,7,9,11,13,17(29),18,20,22,24,26-tetradecaen-9-yl)carbazole?
9-(22-carbazol-9-yl-16,30-dioxaoctacyclo[15.11.1.14,28.02,15.03,12.06,11.019,24.025,29]triaconta-1(28),2(15),3,5,7,9,11,13,17(29),18,20,22,24,26-tetradecaen-9-yl)carbazole has a molecular weight of 712.81 g/mol, XLogP of 14.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(22-carbazol-9-yl-16,30-dioxaoctacyclo[15.11.1.14,28.02,15.03,12.06,11.019,24.025,29]triaconta-1(28),2(15),3,5,7,9,11,13,17(29),18,20,22,24,26-tetradecaen-9-yl)carbazole is sourced from PubChem (CID 59147773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).