5-carbazol-9-yl-17-(2-carbazol-9-ylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene-13,2'-adamantane]

C58H43N3 — CID 167004612

IUPAC5-carbazol-9-yl-17-(2-carbazol-9-ylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene-13,2'-adamantane]
SMILESc1ccc(-n2c3ccccc3c3ccccc32)c(-c2ccc3c(c2)-n2c4ccc(-n5c6ccccc6c6ccccc65)cc4c4cccc(c42)C32C3CC4CC(C3)CC2C4)c1
InChIInChI=1S/C58H43N3/c1-6-19-50(60-53-22-9-4-15-44(53)45-16-5-10-23-54(45)60)41(12-1)37-24-26-48-56(33-37)61-55-27-25-40(59-51-20-7-2-13-42(51)43-14-3-8-21-52(43)59)34-47(55)46-17-11-18-49(57(46)61)58(48)38-29-35-28-36(31-38)32-39(58)30-35/h1-27,33-36,38-39H,28-32H2
InChIKeyLZWPAFBFZXJSSB-UHFFFAOYSA-N
MW782.00 g/mol
LogP14.70
Rot. Bonds3

About 5-carbazol-9-yl-17-(2-carbazol-9-ylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene-13,2'-adamantane]

5-carbazol-9-yl-17-(2-carbazol-9-ylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene-13,2'-adamantane] (PubChem CID 167004612) has the molecular formula C58H43N3 and a molecular weight of 782.00 g/mol. Its IUPAC name is 5-carbazol-9-yl-17-(2-carbazol-9-ylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene-13,2'-adamantane].

Molecular Properties

Compound Name5-carbazol-9-yl-17-(2-carbazol-9-ylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene-13,2'-adamantane]
PubChem CID167004612
Molecular FormulaC58H43N3
Molecular Weight782.00 g/mol
Exact Mass781.35
IUPAC Name5-carbazol-9-yl-17-(2-carbazol-9-ylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene-13,2'-adamantane]
SMILESc1ccc(-n2c3ccccc3c3ccccc32)c(-c2ccc3c(c2)-n2c4ccc(-n5c6ccccc6c6ccccc65)cc4c4cccc(c42)C32C3CC4CC(C3)CC2C4)c1
InChIInChI=1S/C58H43N3/c1-6-19-50(60-53-22-9-4-15-44(53)45-16-5-10-23-54(45)60)41(12-1)37-24-26-48-56(33-37)61-55-27-25-40(59-51-20-7-2-13-42(51)43-14-3-8-21-52(43)59)34-47(55)46-17-11-18-49(57(46)61)58(48)38-29-35-28-36(31-38)32-39(58)30-35/h1-27,33-36,38-39H,28-32H2
InChIKeyLZWPAFBFZXJSSB-UHFFFAOYSA-N
XLogP14.70
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500782.00
LogP ≤ 514.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-carbazol-9-yl-17-(2-carbazol-9-ylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene-13,2'-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

10-[9-[2-(3-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]spiro[acridine-9,2'-adamantane]
CID 163809128
(5-carbazol-9-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene-13,2'-adamantane]-17-yl)-diphenyl-(3-phenylphenyl)silane
CID 164983032
3-[9-(4-phenylphenyl)carbazol-3-yl]-9-spiro[adamantane-2,9'-fluorene]-4'-ylcarbazole
CID 164810227
(10-carbazol-9-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,2'-adamantane]-17-yl)-triphenylsilane;triphenyl-(9-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,2'-adamantane]-10-ylcarbazol-2-yl)silane;triphenyl-(9-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,2'-adamantane]-5-ylcarbazol-2-yl)silane;triphenyl-(9-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,2'-adamantane]-5-ylcarbazol-3-yl)silane
CID 164961047
9-(4-phenylphenyl)-3-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazole
CID 156576999
3-[9-(4-phenylnaphthalen-1-yl)carbazol-3-yl]-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole
CID 164810026
3-(9-quinolin-8-ylcarbazol-3-yl)-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole
CID 164810027
9-phenyl-3-(10-spiro[adamantane-2,9'-fluorene]-4'-ylanthracen-9-yl)carbazole
CID 164819192
triphenyl-[3-(3-spiro[acridine-9,2'-adamantane]-10-ylcarbazol-9-yl)phenyl]silane
CID 163761357
10-[2-carbazol-9-yl-4-(9,9-dimethylfluoren-3-yl)phenyl]spiro[acridine-9,2'-adamantane]
CID 163938551
10-(9-dibenzothiophen-2-ylcarbazol-3-yl)spiro[acridine-9,2'-adamantane]
CID 163667947
9-(9,9-dimethylfluoren-4-yl)-3-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazole
CID 164940817

Frequently Asked Questions

What is the IUPAC name of 5-carbazol-9-yl-17-(2-carbazol-9-ylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene-13,2'-adamantane]?
The IUPAC name of 5-carbazol-9-yl-17-(2-carbazol-9-ylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene-13,2'-adamantane] (CID 167004612) is 5-carbazol-9-yl-17-(2-carbazol-9-ylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene-13,2'-adamantane].
What is the SMILES notation for 5-carbazol-9-yl-17-(2-carbazol-9-ylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene-13,2'-adamantane]?
The canonical SMILES for 5-carbazol-9-yl-17-(2-carbazol-9-ylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene-13,2'-adamantane] is c1ccc(-n2c3ccccc3c3ccccc32)c(-c2ccc3c(c2)-n2c4ccc(-n5c6ccccc6c6ccccc65)cc4c4cccc(c42)C32C3CC4CC(C3)CC2C4)c1.
What is the InChIKey of 5-carbazol-9-yl-17-(2-carbazol-9-ylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene-13,2'-adamantane]?
The InChIKey is LZWPAFBFZXJSSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H43N3/c1-6-19-50(60-53-22-9-4-15-44(53)45-16-5-10-23-54(45)60)41(12-1)37-24-26-48-56(33-37)61-55-27-25-40(59-51-20-7-2-13-42(51)43-14-3-8-21-52(43)59)34-47(55)46-17-11-18-49(57(46)61)58(48)38-29-35-28-36(31-38)32-39(58)30-35/h1-27,33-36,38-39H,28-32H2.
What are the key properties of 5-carbazol-9-yl-17-(2-carbazol-9-ylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene-13,2'-adamantane]?
5-carbazol-9-yl-17-(2-carbazol-9-ylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene-13,2'-adamantane] has a molecular weight of 782.00 g/mol, XLogP of 14.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-carbazol-9-yl-17-(2-carbazol-9-ylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene-13,2'-adamantane] is sourced from PubChem (CID 167004612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).