2-(13-oxaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-7-yl)-9-phenylcarbazole

C46H27NO — CID 154600360

IUPAC2-(13-oxaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-7-yl)-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4ccc5cc6oc7ccc8c9ccccc9c9ccccc9c8c7c6cc5c4)cc32)cc1
InChIInChI=1S/C46H27NO/c1-2-10-32(11-3-1)47-41-17-9-8-15-36(41)37-21-20-29(26-42(37)47)28-18-19-30-27-44-40(25-31(30)24-28)46-43(48-44)23-22-39-35-14-5-4-12-33(35)34-13-6-7-16-38(34)45(39)46/h1-27H
InChIKeyOZLKSWNHZIRVBV-UHFFFAOYSA-N
MW609.73 g/mol
LogP12.96
Rot. Bonds2

About 2-(13-oxaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-7-yl)-9-phenylcarbazole

2-(13-oxaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-7-yl)-9-phenylcarbazole (PubChem CID 154600360) has the molecular formula C46H27NO and a molecular weight of 609.73 g/mol. Its IUPAC name is 2-(13-oxaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-7-yl)-9-phenylcarbazole.

Molecular Properties

Compound Name2-(13-oxaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-7-yl)-9-phenylcarbazole
PubChem CID154600360
Molecular FormulaC46H27NO
Molecular Weight609.73 g/mol
Exact Mass609.21
IUPAC Name2-(13-oxaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-7-yl)-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4ccc5cc6oc7ccc8c9ccccc9c9ccccc9c8c7c6cc5c4)cc32)cc1
InChIInChI=1S/C46H27NO/c1-2-10-32(11-3-1)47-41-17-9-8-15-36(41)37-21-20-29(26-42(37)47)28-18-19-30-27-44-40(25-31(30)24-28)46-43(48-44)23-22-39-35-14-5-4-12-33(35)34-13-6-7-16-38(34)45(39)46/h1-27H
InChIKeyOZLKSWNHZIRVBV-UHFFFAOYSA-N
XLogP12.96
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.73
LogP ≤ 512.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(13-oxaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-7-yl)-9-phenylcarbazole with MolForge

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Related Compounds

2-[9-(6-dibenzofuran-3-ylnaphthalen-2-yl)carbazol-2-yl]-9-phenylcarbazole
CID 126753463
8-N,23-N-diphenyl-8-N,23-N-bis(9-phenylcarbazol-3-yl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine
CID 155362746
2-[9-(6-dibenzofuran-1-ylnaphthalen-2-yl)carbazol-2-yl]-9-phenylcarbazole
CID 126753215
2-[9-[4-[4-(4-dibenzofuran-3-ylphenyl)phenyl]phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 170386572
6-[3-dibenzofuran-3-yl-5-(9-phenylcarbazol-2-yl)phenyl]-N,N-diphenylnaphthalen-2-amine
CID 121443751
2-(4-naphtho[2,3-b][1]benzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole
CID 161127098
3-(4-naphthalen-2-yl-6-naphtho[2,3-b][1]benzofuran-2-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole
CID 163772071
2-naphthalen-2-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 121262529
3,9-diphenyl-6-[7-(9-phenylcarbazol-2-yl)dibenzofuran-3-yl]carbazole
CID 118565399
9-N,23-N-diphenyl-9-N,23-N-bis(9-phenylcarbazol-2-yl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine
CID 155359579
2-[8-(4-dibenzofuran-2-yl-6-phenanthren-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenylcarbazole
CID 139342632
2-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-3-yl]-9-phenylcarbazole
CID 166009472

Frequently Asked Questions

What is the IUPAC name of 2-(13-oxaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-7-yl)-9-phenylcarbazole?
The IUPAC name of 2-(13-oxaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-7-yl)-9-phenylcarbazole (CID 154600360) is 2-(13-oxaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-7-yl)-9-phenylcarbazole.
What is the SMILES notation for 2-(13-oxaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-7-yl)-9-phenylcarbazole?
The canonical SMILES for 2-(13-oxaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-7-yl)-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3ccc(-c4ccc5cc6oc7ccc8c9ccccc9c9ccccc9c8c7c6cc5c4)cc32)cc1.
What is the InChIKey of 2-(13-oxaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-7-yl)-9-phenylcarbazole?
The InChIKey is OZLKSWNHZIRVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H27NO/c1-2-10-32(11-3-1)47-41-17-9-8-15-36(41)37-21-20-29(26-42(37)47)28-18-19-30-27-44-40(25-31(30)24-28)46-43(48-44)23-22-39-35-14-5-4-12-33(35)34-13-6-7-16-38(34)45(39)46/h1-27H.
What are the key properties of 2-(13-oxaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-7-yl)-9-phenylcarbazole?
2-(13-oxaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-7-yl)-9-phenylcarbazole has a molecular weight of 609.73 g/mol, XLogP of 12.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(13-oxaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-7-yl)-9-phenylcarbazole is sourced from PubChem (CID 154600360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).