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]

C50H38N2 — CID 164819471

IUPAC14-(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]
SMILESc1ccc(-n2c3ccccc3c3c(-n4c5cc6ccccc6cc5c5c6c(ccc54)C4(c5ccccc5-6)C5CC6CC(C5)CC4C6)cccc32)cc1
InChIInChI=1S/C50H38N2/c1-2-13-36(14-3-1)51-42-18-9-7-16-38(42)48-43(51)19-10-20-44(48)52-45-22-21-41-47(49(45)39-28-32-11-4-5-12-33(32)29-46(39)52)37-15-6-8-17-40(37)50(41)34-24-30-23-31(26-34)27-35(50)25-30/h1-22,28-31,34-35H,23-27H2
InChIKeyMQSHTDVMBBOEFE-UHFFFAOYSA-N
MW666.87 g/mol
LogP12.76
Rot. Bonds2

About 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]

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] (PubChem CID 164819471) has the molecular formula C50H38N2 and a molecular weight of 666.87 g/mol. Its IUPAC name is 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].

Molecular Properties

Compound Name14-(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]
PubChem CID164819471
Molecular FormulaC50H38N2
Molecular Weight666.87 g/mol
Exact Mass666.30
IUPAC Name14-(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]
SMILESc1ccc(-n2c3ccccc3c3c(-n4c5cc6ccccc6cc5c5c6c(ccc54)C4(c5ccccc5-6)C5CC6CC(C5)CC4C6)cccc32)cc1
InChIInChI=1S/C50H38N2/c1-2-13-36(14-3-1)51-42-18-9-7-16-38(42)48-43(51)19-10-20-44(48)52-45-22-21-41-47(49(45)39-28-32-11-4-5-12-33(32)29-46(39)52)37-15-6-8-17-40(37)50(41)34-24-30-23-31(26-34)27-35(50)25-30/h1-22,28-31,34-35H,23-27H2
InChIKeyMQSHTDVMBBOEFE-UHFFFAOYSA-N
XLogP12.76
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.87
LogP ≤ 512.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 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] with MolForge

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

Launch Full Analysis

Related Compounds

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
3-[9-(4-phenylphenyl)carbazol-3-yl]-9-spiro[adamantane-2,9'-fluorene]-4'-ylcarbazole
CID 164810227
9-phenyl-3-(10-spiro[adamantane-2,9'-fluorene]-4'-ylanthracen-9-yl)carbazole
CID 164819192
N,9-diphenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-2-amine
CID 156568137
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
4-dibenzothiophen-1-yl-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole;4-dibenzothiophen-2-yl-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole;3-(9-phenylcarbazol-3-yl)-9-spiro[adamantane-2,9'-fluorene]-4'-ylcarbazole
CID 165008355
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
N-(4-naphthalen-2-ylphenyl)-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine
CID 156573561
9-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-spiro[adamantane-2,9'-fluorene]-4'-ylcarbazol-2-amine;9-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-spiro[adamantane-2,9'-fluorene]-4'-ylcarbazol-3-amine;N-[4-(4-phenylphenyl)phenyl]-N-spiro[adamantane-2,9'-fluorene]-4'-yldibenzofuran-2-amine
CID 162170787
10-(5-phenylbenzo[b]carbazol-2-yl)-10-azahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15,17,19(23),20-undecaene
CID 118565077
3-[4-[4-[4-[4-(9,9-dimethylfluoren-4-yl)-6-spiro[adamantane-2,9'-fluorene]-3'-yl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-spiro[adamantane-2,9'-fluorene]-4'-yl-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 156561672
9-(4-phenylphenyl)-3-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazole
CID 156576999

Frequently Asked Questions

What is the IUPAC name of 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]?
The IUPAC name of 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) is 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].
What is the SMILES notation for 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]?
The canonical SMILES for 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] is c1ccc(-n2c3ccccc3c3c(-n4c5cc6ccccc6cc5c5c6c(ccc54)C4(c5ccccc5-6)C5CC6CC(C5)CC4C6)cccc32)cc1.
What is the InChIKey of 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]?
The InChIKey is MQSHTDVMBBOEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H38N2/c1-2-13-36(14-3-1)51-42-18-9-7-16-38(42)48-43(51)19-10-20-44(48)52-45-22-21-41-47(49(45)39-28-32-11-4-5-12-33(32)29-46(39)52)37-15-6-8-17-40(37)50(41)34-24-30-23-31(26-34)27-35(50)25-30/h1-22,28-31,34-35H,23-27H2.
What are the key properties of 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]?
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] has a molecular weight of 666.87 g/mol, XLogP of 12.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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] is sourced from PubChem (CID 164819471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).