9-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1(18),2,4,6,8,10,12(17),13,15-nonaen-4-yl)carbazole

C30H17NO — CID 169060972

IUPAC9-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1(18),2,4,6,8,10,12(17),13,15-nonaen-4-yl)carbazole
SMILESc1ccc2c(c1)c1cccc3oc4ccc(-n5c6ccccc6c6ccccc65)c2c4c31
InChIInChI=1S/C30H17NO/c1-2-11-21-18(8-1)22-12-7-15-26-29(22)30-27(32-26)17-16-25(28(21)30)31-23-13-5-3-9-19(23)20-10-4-6-14-24(20)31/h1-17H
InChIKeyYSKVPGQCBPNNMM-UHFFFAOYSA-N
MW407.47 g/mol
LogP8.43
Rot. Bonds1

About 9-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1(18),2,4,6,8,10,12(17),13,15-nonaen-4-yl)carbazole

9-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1(18),2,4,6,8,10,12(17),13,15-nonaen-4-yl)carbazole (PubChem CID 169060972) has the molecular formula C30H17NO and a molecular weight of 407.47 g/mol. Its IUPAC name is 9-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1(18),2,4,6,8,10,12(17),13,15-nonaen-4-yl)carbazole.

Molecular Properties

Compound Name9-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1(18),2,4,6,8,10,12(17),13,15-nonaen-4-yl)carbazole
PubChem CID169060972
Molecular FormulaC30H17NO
Molecular Weight407.47 g/mol
Exact Mass407.13
IUPAC Name9-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1(18),2,4,6,8,10,12(17),13,15-nonaen-4-yl)carbazole
SMILESc1ccc2c(c1)c1cccc3oc4ccc(-n5c6ccccc6c6ccccc65)c2c4c31
InChIInChI=1S/C30H17NO/c1-2-11-21-18(8-1)22-12-7-15-26-29(22)30-27(32-26)17-16-25(28(21)30)31-23-13-5-3-9-19(23)20-10-4-6-14-24(20)31/h1-17H
InChIKeyYSKVPGQCBPNNMM-UHFFFAOYSA-N
XLogP8.43
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.47
LogP ≤ 58.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 9-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1(18),2,4,6,8,10,12(17),13,15-nonaen-4-yl)carbazole with MolForge

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Related Compounds

3-(9-phenylcarbazol-3-yl)-9-(8-phenyl-19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1(18),2,4,6(11),7,9,12(17),13,15-nonaen-4-yl)carbazole
CID 169060676
3-carbazol-9-yl-9-(8-carbazol-9-yldibenzofuran-1-yl)carbazole
CID 176831663
9-(9-dibenzofuran-2-yldibenzofuran-1-yl)carbazole
CID 170276500
21-(9-phenylcarbazol-3-yl)-6,11-dioxa-21-azahexacyclo[14.4.1.05,20.07,19.010,18.012,17]henicosa-1(20),2,4,7(19),8,10(18),12,14,16-nonaene
CID 135130599
9-dibenzofuran-1-yl-3-iodocarbazole
CID 90291712
9-dibenzofuran-1-yl-12-phenyl-9,12-diazaoctacyclo[18.12.0.02,10.03,8.011,19.013,18.021,26.027,32]dotriaconta-1(20),2(10),3,5,7,11(19),13,15,17,21,23,25,27,29,31-pentadecaene
CID 134369922
3-carbazol-9-yl-9-[9-(9-carbazol-9-yldibenzofuran-3-yl)carbazol-3-yl]carbazole
CID 176831734
9-(4-carbazol-9-ylnaphthalen-1-yl)carbazole
CID 154791880
9-[1-[4-(2-carbazol-9-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole
CID 146816621
9-(17-carbazol-9-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-6-yl)carbazole
CID 59147574
3-(9-phenylcarbazol-3-yl)-9-(8-phenyldibenzofuran-1-yl)carbazole
CID 164821289
11-phenyl-12-(4-phenyl-19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1(18),2,4,6(11),7,9,12(17),13,15-nonaen-8-yl)indolo[2,3-a]carbazole
CID 169060526

Frequently Asked Questions

What is the IUPAC name of 9-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1(18),2,4,6,8,10,12(17),13,15-nonaen-4-yl)carbazole?
The IUPAC name of 9-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1(18),2,4,6,8,10,12(17),13,15-nonaen-4-yl)carbazole (CID 169060972) is 9-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1(18),2,4,6,8,10,12(17),13,15-nonaen-4-yl)carbazole.
What is the SMILES notation for 9-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1(18),2,4,6,8,10,12(17),13,15-nonaen-4-yl)carbazole?
The canonical SMILES for 9-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1(18),2,4,6,8,10,12(17),13,15-nonaen-4-yl)carbazole is c1ccc2c(c1)c1cccc3oc4ccc(-n5c6ccccc6c6ccccc65)c2c4c31.
What is the InChIKey of 9-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1(18),2,4,6,8,10,12(17),13,15-nonaen-4-yl)carbazole?
The InChIKey is YSKVPGQCBPNNMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H17NO/c1-2-11-21-18(8-1)22-12-7-15-26-29(22)30-27(32-26)17-16-25(28(21)30)31-23-13-5-3-9-19(23)20-10-4-6-14-24(20)31/h1-17H.
What are the key properties of 9-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1(18),2,4,6,8,10,12(17),13,15-nonaen-4-yl)carbazole?
9-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1(18),2,4,6,8,10,12(17),13,15-nonaen-4-yl)carbazole has a molecular weight of 407.47 g/mol, XLogP of 8.43, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1(18),2,4,6,8,10,12(17),13,15-nonaen-4-yl)carbazole is sourced from PubChem (CID 169060972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).