14-phenylspiro[14-azahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene-9,5'-pentacyclo[7.4.1.14,12.02,7.06,11]pentadecane]

C43H37N — CID 177242778

IUPAC14-phenylspiro[14-azahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene-9,5'-pentacyclo[7.4.1.14,12.02,7.06,11]pentadecane]
SMILESc1ccc(-n2c3ccc4c(c3c3c5ccccc5ccc32)-c2ccccc2C42C3CC4CC5CC6CC4C2C(C6)C5C3)cc1
InChIInChI=1S/C43H37N/c1-2-9-29(10-3-1)44-37-16-14-25-8-4-5-11-30(25)40(37)41-38(44)17-15-36-39(41)31-12-6-7-13-35(31)43(36)28-22-27-21-26-18-24-19-33(27)42(43)34(20-24)32(26)23-28/h1-17,24,26-28,32-34,42H,18-23H2
InChIKeyWFPXZONKCIFWKI-UHFFFAOYSA-N
MW567.78 g/mol
LogP10.54
Rot. Bonds1

About 14-phenylspiro[14-azahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene-9,5'-pentacyclo[7.4.1.14,12.02,7.06,11]pentadecane]

14-phenylspiro[14-azahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene-9,5'-pentacyclo[7.4.1.14,12.02,7.06,11]pentadecane] (PubChem CID 177242778) has the molecular formula C43H37N and a molecular weight of 567.78 g/mol. Its IUPAC name is 14-phenylspiro[14-azahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene-9,5'-pentacyclo[7.4.1.14,12.02,7.06,11]pentadecane].

Molecular Properties

Compound Name14-phenylspiro[14-azahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene-9,5'-pentacyclo[7.4.1.14,12.02,7.06,11]pentadecane]
PubChem CID177242778
Molecular FormulaC43H37N
Molecular Weight567.78 g/mol
Exact Mass567.29
IUPAC Name14-phenylspiro[14-azahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene-9,5'-pentacyclo[7.4.1.14,12.02,7.06,11]pentadecane]
SMILESc1ccc(-n2c3ccc4c(c3c3c5ccccc5ccc32)-c2ccccc2C42C3CC4CC5CC6CC4C2C(C6)C5C3)cc1
InChIInChI=1S/C43H37N/c1-2-9-29(10-3-1)44-37-16-14-25-8-4-5-11-30(25)40(37)41-38(44)17-15-36-39(41)31-12-6-7-13-35(31)43(36)28-22-27-21-26-18-24-19-33(27)42(43)34(20-24)32(26)23-28/h1-17,24,26-28,32-34,42H,18-23H2
InChIKeyWFPXZONKCIFWKI-UHFFFAOYSA-N
XLogP10.54
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.78
LogP ≤ 510.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 14-phenylspiro[14-azahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene-9,5'-pentacyclo[7.4.1.14,12.02,7.06,11]pentadecane] with MolForge

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Related Compounds

14-(9-phenylcarbazol-4-yl)spiro[14-azahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaene-9,2'-adamantane]
CID 164819471
9-(3-carbazol-9-ylphenyl)spiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,2'-adamantane]
CID 164819333
10'-methyl-5-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[indeno[2,1-b]carbazole-7,12'-tetracyclo[6.3.1.14,11.02,6]tridecane]
CID 177242816
9-phenyl-3-(10-spiro[adamantane-2,9'-fluorene]-4'-ylanthracen-9-yl)carbazole
CID 164819192
N-(4-naphthalen-2-ylphenyl)-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine
CID 156573561
24-(3-phenanthren-2-ylquinoxalin-2-yl)spiro[24-azahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene-9,2'-adamantane]
CID 164819432
9-phenyl-3-(4-phenyl-6-spiro[adamantane-2,11'-benzo[a]fluorene]-7'-yl-1,3,5-triazin-2-yl)carbazole
CID 167353778
12-[4-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 59103404
11-(4-phenylphenyl)-8-spiro[adamantane-2,9'-fluorene]-3'-ylbenzo[a]carbazole
CID 164940855
17,17-dimethyl-9-(9-phenylcarbazol-4-yl)-9-azahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene
CID 122464687
N-(3-carbazol-9-ylphenyl)-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine;N-phenanthren-2-yl-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine;N-phenanthren-9-yl-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine
CID 159036181
3-[9-(4-phenylphenyl)carbazol-3-yl]-9-spiro[adamantane-2,9'-fluorene]-4'-ylcarbazole
CID 164810227

Frequently Asked Questions

What is the IUPAC name of 14-phenylspiro[14-azahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene-9,5'-pentacyclo[7.4.1.14,12.02,7.06,11]pentadecane]?
The IUPAC name of 14-phenylspiro[14-azahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene-9,5'-pentacyclo[7.4.1.14,12.02,7.06,11]pentadecane] (CID 177242778) is 14-phenylspiro[14-azahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene-9,5'-pentacyclo[7.4.1.14,12.02,7.06,11]pentadecane].
What is the SMILES notation for 14-phenylspiro[14-azahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene-9,5'-pentacyclo[7.4.1.14,12.02,7.06,11]pentadecane]?
The canonical SMILES for 14-phenylspiro[14-azahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene-9,5'-pentacyclo[7.4.1.14,12.02,7.06,11]pentadecane] is c1ccc(-n2c3ccc4c(c3c3c5ccccc5ccc32)-c2ccccc2C42C3CC4CC5CC6CC4C2C(C6)C5C3)cc1.
What is the InChIKey of 14-phenylspiro[14-azahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene-9,5'-pentacyclo[7.4.1.14,12.02,7.06,11]pentadecane]?
The InChIKey is WFPXZONKCIFWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H37N/c1-2-9-29(10-3-1)44-37-16-14-25-8-4-5-11-30(25)40(37)41-38(44)17-15-36-39(41)31-12-6-7-13-35(31)43(36)28-22-27-21-26-18-24-19-33(27)42(43)34(20-24)32(26)23-28/h1-17,24,26-28,32-34,42H,18-23H2.
What are the key properties of 14-phenylspiro[14-azahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene-9,5'-pentacyclo[7.4.1.14,12.02,7.06,11]pentadecane]?
14-phenylspiro[14-azahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene-9,5'-pentacyclo[7.4.1.14,12.02,7.06,11]pentadecane] has a molecular weight of 567.78 g/mol, XLogP of 10.54, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 14-phenylspiro[14-azahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene-9,5'-pentacyclo[7.4.1.14,12.02,7.06,11]pentadecane] is sourced from PubChem (CID 177242778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).