12-naphthalen-2-ylspiro[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-22,20'-pentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaene]

C57H35N — CID 134555374

IUPAC12-naphthalen-2-ylspiro[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-22,20'-pentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaene]
SMILESc1ccc2c(c1)-c1ccccc1-c1ccccc1C1(c3ccccc3-2)c2ccccc2-c2cc3c(cc21)c1ccc2ccccc2c1n3-c1ccc2ccccc2c1
InChIInChI=1S/C57H35N/c1-2-17-38-33-39(31-29-36(38)15-1)58-55-35-49-47-25-11-14-28-53(47)57(54(49)34-50(55)48-32-30-37-16-3-4-18-40(37)56(48)58)51-26-12-9-23-45(51)43-21-7-5-19-41(43)42-20-6-8-22-44(42)46-24-10-13-27-52(46)57/h1-35H
InChIKeyBGOVJKFMVNGBIL-UHFFFAOYSA-N
MW733.91 g/mol
LogP14.77
Rot. Bonds1

About 12-naphthalen-2-ylspiro[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-22,20'-pentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaene]

12-naphthalen-2-ylspiro[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-22,20'-pentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaene] (PubChem CID 134555374) has the molecular formula C57H35N and a molecular weight of 733.91 g/mol. Its IUPAC name is 12-naphthalen-2-ylspiro[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-22,20'-pentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaene].

Molecular Properties

Compound Name12-naphthalen-2-ylspiro[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-22,20'-pentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaene]
PubChem CID134555374
Molecular FormulaC57H35N
Molecular Weight733.91 g/mol
Exact Mass733.28
IUPAC Name12-naphthalen-2-ylspiro[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-22,20'-pentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaene]
SMILESc1ccc2c(c1)-c1ccccc1-c1ccccc1C1(c3ccccc3-2)c2ccccc2-c2cc3c(cc21)c1ccc2ccccc2c1n3-c1ccc2ccccc2c1
InChIInChI=1S/C57H35N/c1-2-17-38-33-39(31-29-36(38)15-1)58-55-35-49-47-25-11-14-28-53(47)57(54(49)34-50(55)48-32-30-37-16-3-4-18-40(37)56(48)58)51-26-12-9-23-45(51)43-21-7-5-19-41(43)42-20-6-8-22-44(42)46-24-10-13-27-52(46)57/h1-35H
InChIKeyBGOVJKFMVNGBIL-UHFFFAOYSA-N
XLogP14.77
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500733.91
LogP ≤ 514.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 12-naphthalen-2-ylspiro[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-22,20'-pentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaene] 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

CID 134551786
CID 134551786
CID 134551819
CID 134551819
CID 134551673
CID 134551673
CID 157397756
CID 157397756
CID 134551803
CID 134551803
11-spiro[fluorene-9,9'-xanthene]-2'-ylbenzo[a]carbazole
CID 170038206
23,37-bis(9-phenylcarbazol-2-yl)spiro[23,37-diazanonacyclo[26.11.0.02,7.08,13.014,26.016,24.017,22.030,38.031,36]nonatriaconta-1(28),2,4,6,8,10,12,14(26),15,17,19,21,24,29,31,33,35,38-octadecaene-27,9'-fluorene]
CID 134555366
5-naphthalen-2-yl-2-(9-naphthalen-2-ylcarbazol-3-yl)-7,7-diphenylindeno[2,1-b]carbazole;5-naphthalen-2-yl-2-(9-naphthalen-2-ylcarbazol-3-yl)-11,11-diphenylindeno[1,2-b]carbazole
CID 160877708
CID 134551753
CID 134551753
N-(4-naphthalen-2-ylphenyl)-2-phenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine
CID 168781333
CID 134551919
CID 134551919
CID 159982041
CID 159982041

Frequently Asked Questions

What is the IUPAC name of 12-naphthalen-2-ylspiro[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-22,20'-pentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaene]?
The IUPAC name of 12-naphthalen-2-ylspiro[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-22,20'-pentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaene] (CID 134555374) is 12-naphthalen-2-ylspiro[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-22,20'-pentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaene].
What is the SMILES notation for 12-naphthalen-2-ylspiro[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-22,20'-pentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaene]?
The canonical SMILES for 12-naphthalen-2-ylspiro[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-22,20'-pentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaene] is c1ccc2c(c1)-c1ccccc1-c1ccccc1C1(c3ccccc3-2)c2ccccc2-c2cc3c(cc21)c1ccc2ccccc2c1n3-c1ccc2ccccc2c1.
What is the InChIKey of 12-naphthalen-2-ylspiro[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-22,20'-pentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaene]?
The InChIKey is BGOVJKFMVNGBIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H35N/c1-2-17-38-33-39(31-29-36(38)15-1)58-55-35-49-47-25-11-14-28-53(47)57(54(49)34-50(55)48-32-30-37-16-3-4-18-40(37)56(48)58)51-26-12-9-23-45(51)43-21-7-5-19-41(43)42-20-6-8-22-44(42)46-24-10-13-27-52(46)57/h1-35H.
What are the key properties of 12-naphthalen-2-ylspiro[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-22,20'-pentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaene]?
12-naphthalen-2-ylspiro[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-22,20'-pentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaene] has a molecular weight of 733.91 g/mol, XLogP of 14.77, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 12-naphthalen-2-ylspiro[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-22,20'-pentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaene] is sourced from PubChem (CID 134555374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).