9-[16-(3-phenylphenyl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),5,7,11,14(19),15,17-octaen-7-yl]carbazole

C42H27NO2 — CID 71059017

IUPAC9-[16-(3-phenylphenyl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),5,7,11,14(19),15,17-octaen-7-yl]carbazole
SMILESC1=CC2Oc3c(ccc4c3oc3ccc(-c5cccc(-c6ccccc6)c5)cc34)C2C=C1n1c2ccccc2c2ccccc21
InChIInChI=1S/C42H27NO2/c1-2-9-26(10-3-1)27-11-8-12-28(23-27)29-17-21-39-35(24-29)33-19-20-34-36-25-30(18-22-40(36)45-42(34)41(33)44-39)43-37-15-6-4-13-31(37)32-14-5-7-16-38(32)43/h1-25,36,40H
InChIKeyDGSBRTSTMSIOTA-UHFFFAOYSA-N
MW577.68 g/mol
LogP10.98
Rot. Bonds3

About 9-[16-(3-phenylphenyl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),5,7,11,14(19),15,17-octaen-7-yl]carbazole

9-[16-(3-phenylphenyl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),5,7,11,14(19),15,17-octaen-7-yl]carbazole (PubChem CID 71059017) has the molecular formula C42H27NO2 and a molecular weight of 577.68 g/mol. Its IUPAC name is 9-[16-(3-phenylphenyl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),5,7,11,14(19),15,17-octaen-7-yl]carbazole.

Molecular Properties

Compound Name9-[16-(3-phenylphenyl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),5,7,11,14(19),15,17-octaen-7-yl]carbazole
PubChem CID71059017
Molecular FormulaC42H27NO2
Molecular Weight577.68 g/mol
Exact Mass577.20
IUPAC Name9-[16-(3-phenylphenyl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),5,7,11,14(19),15,17-octaen-7-yl]carbazole
SMILESC1=CC2Oc3c(ccc4c3oc3ccc(-c5cccc(-c6ccccc6)c5)cc34)C2C=C1n1c2ccccc2c2ccccc21
InChIInChI=1S/C42H27NO2/c1-2-9-26(10-3-1)27-11-8-12-28(23-27)29-17-21-39-35(24-29)33-19-20-34-36-25-30(18-22-40(36)45-42(34)41(33)44-39)43-37-15-6-4-13-31(37)32-14-5-7-16-38(32)43/h1-25,36,40H
InChIKeyDGSBRTSTMSIOTA-UHFFFAOYSA-N
XLogP10.98
TPSA27.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.68
LogP ≤ 510.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 9-[16-(3-phenylphenyl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),5,7,11,14(19),15,17-octaen-7-yl]carbazole with MolForge

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Related Compounds

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5-(4a,9b-dihydrodibenzofuran-2-yl)-2-carbazol-9-yl-7,10-diphenylindolo[2,3-b]carbazole
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5-(8-pyrido[3,2-b]indol-5-yl-5a,9a-dihydrodibenzofuran-4-yl)pyrido[3,2-b]indole
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9-(8-dibenzofuran-3-yldibenzofuran-4-yl)-3-phenylcarbazole
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2-[16-(3,5-diphenylphenyl)-7-phenyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,5,7,10,12,14(19),15,17-octaen-11-yl]-4,6-diphenylpyrimidine
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9-[4-(8-phenyldibenzofuran-2-yl)phenyl]carbazole
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6,17-bis(8-phenyldibenzofuran-2-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;9-[3-[17-(3-carbazol-9-ylphenyl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-6-yl]phenyl]carbazole;3-[17-(6,9-diphenylcarbazol-3-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-6-yl]-6,9-diphenylcarbazole;3,9-diphenyl-6-(17-phenyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-6-yl)carbazole;9-phenyl-3-[17-(9-phenylcarbazol-3-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-6-yl]carbazole
CID 158073977
3-[9-[4-(5a,9a-dihydrodibenzofuran-4-yl)phenyl]carbazol-3-yl]-9-(4-dibenzofuran-4-ylphenyl)carbazole
CID 142296865

Frequently Asked Questions

What is the IUPAC name of 9-[16-(3-phenylphenyl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),5,7,11,14(19),15,17-octaen-7-yl]carbazole?
The IUPAC name of 9-[16-(3-phenylphenyl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),5,7,11,14(19),15,17-octaen-7-yl]carbazole (CID 71059017) is 9-[16-(3-phenylphenyl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),5,7,11,14(19),15,17-octaen-7-yl]carbazole.
What is the SMILES notation for 9-[16-(3-phenylphenyl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),5,7,11,14(19),15,17-octaen-7-yl]carbazole?
The canonical SMILES for 9-[16-(3-phenylphenyl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),5,7,11,14(19),15,17-octaen-7-yl]carbazole is C1=CC2Oc3c(ccc4c3oc3ccc(-c5cccc(-c6ccccc6)c5)cc34)C2C=C1n1c2ccccc2c2ccccc21.
What is the InChIKey of 9-[16-(3-phenylphenyl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),5,7,11,14(19),15,17-octaen-7-yl]carbazole?
The InChIKey is DGSBRTSTMSIOTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27NO2/c1-2-9-26(10-3-1)27-11-8-12-28(23-27)29-17-21-39-35(24-29)33-19-20-34-36-25-30(18-22-40(36)45-42(34)41(33)44-39)43-37-15-6-4-13-31(37)32-14-5-7-16-38(32)43/h1-25,36,40H.
What are the key properties of 9-[16-(3-phenylphenyl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),5,7,11,14(19),15,17-octaen-7-yl]carbazole?
9-[16-(3-phenylphenyl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),5,7,11,14(19),15,17-octaen-7-yl]carbazole has a molecular weight of 577.68 g/mol, XLogP of 10.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[16-(3-phenylphenyl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),5,7,11,14(19),15,17-octaen-7-yl]carbazole is sourced from PubChem (CID 71059017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).