24-[4-(4-carbazol-9-ylquinazolin-2-yl)phenyl]spiro[24-azahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene-3,2'-adamantane]

C58H42N4 — CID 164819473

IUPAC24-[4-(4-carbazol-9-ylquinazolin-2-yl)phenyl]spiro[24-azahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene-3,2'-adamantane]
SMILESc1ccc2c(c1)-c1ccc3c4ccc5ccccc5c4n(-c4ccc(-c5nc(-n6c7ccccc7c7ccccc76)c6ccccc6n5)cc4)c3c1C21C2CC3CC(C2)CC1C3
InChIInChI=1S/C58H42N4/c1-2-12-41-36(11-1)23-26-46-47-28-27-45-42-13-3-7-17-49(42)58(38-30-34-29-35(32-38)33-39(58)31-34)53(45)55(47)61(54(41)46)40-24-21-37(22-25-40)56-59-50-18-8-4-16-48(50)57(60-56)62-51-19-9-5-14-43(51)44-15-6-10-20-52(44)62/h1-28,34-35,38-39H,29-33H2
InChIKeyOWZJBPLQGAJPBW-UHFFFAOYSA-N
MW795.00 g/mol
LogP14.37
Rot. Bonds3

About 24-[4-(4-carbazol-9-ylquinazolin-2-yl)phenyl]spiro[24-azahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene-3,2'-adamantane]

24-[4-(4-carbazol-9-ylquinazolin-2-yl)phenyl]spiro[24-azahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene-3,2'-adamantane] (PubChem CID 164819473) has the molecular formula C58H42N4 and a molecular weight of 795.00 g/mol. Its IUPAC name is 24-[4-(4-carbazol-9-ylquinazolin-2-yl)phenyl]spiro[24-azahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene-3,2'-adamantane].

Molecular Properties

Compound Name24-[4-(4-carbazol-9-ylquinazolin-2-yl)phenyl]spiro[24-azahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene-3,2'-adamantane]
PubChem CID164819473
Molecular FormulaC58H42N4
Molecular Weight795.00 g/mol
Exact Mass794.34
IUPAC Name24-[4-(4-carbazol-9-ylquinazolin-2-yl)phenyl]spiro[24-azahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene-3,2'-adamantane]
SMILESc1ccc2c(c1)-c1ccc3c4ccc5ccccc5c4n(-c4ccc(-c5nc(-n6c7ccccc7c7ccccc76)c6ccccc6n5)cc4)c3c1C21C2CC3CC(C2)CC1C3
InChIInChI=1S/C58H42N4/c1-2-12-41-36(11-1)23-26-46-47-28-27-45-42-13-3-7-17-49(42)58(38-30-34-29-35(32-38)33-39(58)31-34)53(45)55(47)61(54(41)46)40-24-21-37(22-25-40)56-59-50-18-8-4-16-48(50)57(60-56)62-51-19-9-5-14-43(51)44-15-6-10-20-52(44)62/h1-28,34-35,38-39H,29-33H2
InChIKeyOWZJBPLQGAJPBW-UHFFFAOYSA-N
XLogP14.37
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500795.00
LogP ≤ 514.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 24-[4-(4-carbazol-9-ylquinazolin-2-yl)phenyl]spiro[24-azahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene-3,2'-adamantane] with MolForge

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Related Compounds

24-(4-phenanthren-9-ylphenyl)spiro[24-azahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene-3,2'-adamantane]
CID 164819544
9-[4-[4-phenyl-6-[4-(3-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 166018010
14-[6-(3-phenylquinoxalin-2-yl)naphthalen-2-yl]spiro[14-azahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene-3,2'-adamantane]
CID 164819479
24-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[24-azahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene-3,2'-adamantane]
CID 164819368
11-(4-phenylphenyl)-8-spiro[adamantane-2,9'-fluorene]-3'-ylbenzo[a]carbazole
CID 164940855
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-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene-15,2'-adamantane];12-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[12-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene-23,2'-adamantane];24-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[24-azahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene-3,2'-adamantane];24-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[24-azahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene-3,2'-adamantane]
CID 165022177
9-[4-[4-(11',11'-dimethylspiro[adamantane-2,12'-indeno[2,1-a]fluorene]-1'-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenylcarbazole
CID 168834892
12-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[12-azahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene-22,2'-adamantane]
CID 164819419
8-benzo[a]carbazol-11-yl-5-[2-(9,9-dimethylfluoren-2-yl)quinazolin-4-yl]benzo[b]carbazole;8-benzo[a]carbazol-11-yl-5-(2-phenanthren-3-ylquinazolin-4-yl)benzo[b]carbazole;8-benzo[a]carbazol-11-yl-5-[2-(9-phenylcarbazol-2-yl)quinazolin-4-yl]benzo[b]carbazole
CID 159439696
9-(4-phenylphenyl)-2-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole
CID 156577007
3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl]-9-phenylcarbazole
CID 147889742

Frequently Asked Questions

What is the IUPAC name of 24-[4-(4-carbazol-9-ylquinazolin-2-yl)phenyl]spiro[24-azahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene-3,2'-adamantane]?
The IUPAC name of 24-[4-(4-carbazol-9-ylquinazolin-2-yl)phenyl]spiro[24-azahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene-3,2'-adamantane] (CID 164819473) is 24-[4-(4-carbazol-9-ylquinazolin-2-yl)phenyl]spiro[24-azahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene-3,2'-adamantane].
What is the SMILES notation for 24-[4-(4-carbazol-9-ylquinazolin-2-yl)phenyl]spiro[24-azahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene-3,2'-adamantane]?
The canonical SMILES for 24-[4-(4-carbazol-9-ylquinazolin-2-yl)phenyl]spiro[24-azahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene-3,2'-adamantane] is c1ccc2c(c1)-c1ccc3c4ccc5ccccc5c4n(-c4ccc(-c5nc(-n6c7ccccc7c7ccccc76)c6ccccc6n5)cc4)c3c1C21C2CC3CC(C2)CC1C3.
What is the InChIKey of 24-[4-(4-carbazol-9-ylquinazolin-2-yl)phenyl]spiro[24-azahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene-3,2'-adamantane]?
The InChIKey is OWZJBPLQGAJPBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H42N4/c1-2-12-41-36(11-1)23-26-46-47-28-27-45-42-13-3-7-17-49(42)58(38-30-34-29-35(32-38)33-39(58)31-34)53(45)55(47)61(54(41)46)40-24-21-37(22-25-40)56-59-50-18-8-4-16-48(50)57(60-56)62-51-19-9-5-14-43(51)44-15-6-10-20-52(44)62/h1-28,34-35,38-39H,29-33H2.
What are the key properties of 24-[4-(4-carbazol-9-ylquinazolin-2-yl)phenyl]spiro[24-azahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene-3,2'-adamantane]?
24-[4-(4-carbazol-9-ylquinazolin-2-yl)phenyl]spiro[24-azahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene-3,2'-adamantane] has a molecular weight of 795.00 g/mol, XLogP of 14.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 24-[4-(4-carbazol-9-ylquinazolin-2-yl)phenyl]spiro[24-azahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene-3,2'-adamantane] is sourced from PubChem (CID 164819473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).