(6'Z,8'Z)-10',14'-diphenylspiro[1,2-dihydrothioxanthene-9,18'-10,14-diazahexacyclo[13.11.0.02,13.04,11.017,25.019,24]hexacosa-1(26),2(13),3,6,8,11,15,17(25),19,21,23-undecaene]

C48H34N2S — CID 138548122

IUPAC(6'Z,8'Z)-10',14'-diphenylspiro[1,2-dihydrothioxanthene-9,18'-10,14-diazahexacyclo[13.11.0.02,13.04,11.017,25.019,24]hexacosa-1(26),2(13),3,6,8,11,15,17(25),19,21,23-undecaene]
SMILESC1=CC2=C(CC1)C1(c3ccccc3S2)c2ccccc2-c2cc3c4cc5c(cc4n(-c4ccccc4)c3cc21)N(c1ccccc1)/C=C\C=C/C5
InChIInChI=1S/C48H34N2S/c1-5-17-33(18-6-1)49-27-15-3-4-16-32-28-37-38-29-36-35-21-9-10-22-39(35)48(40-23-11-13-25-46(40)51-47-26-14-12-24-41(47)48)42(36)30-44(38)50(45(37)31-43(32)49)34-19-7-2-8-20-34/h1-11,13-15,17-23,25-31H,12,16,24H2/b4-3-,27-15-
InChIKeyOYXXKQDUGXRZAH-NZRBTEBISA-N
MW670.88 g/mol
LogP12.57
Rot. Bonds2

About (6'Z,8'Z)-10',14'-diphenylspiro[1,2-dihydrothioxanthene-9,18'-10,14-diazahexacyclo[13.11.0.02,13.04,11.017,25.019,24]hexacosa-1(26),2(13),3,6,8,11,15,17(25),19,21,23-undecaene]

(6'Z,8'Z)-10',14'-diphenylspiro[1,2-dihydrothioxanthene-9,18'-10,14-diazahexacyclo[13.11.0.02,13.04,11.017,25.019,24]hexacosa-1(26),2(13),3,6,8,11,15,17(25),19,21,23-undecaene] (PubChem CID 138548122) has the molecular formula C48H34N2S and a molecular weight of 670.88 g/mol. Its IUPAC name is (6'Z,8'Z)-10',14'-diphenylspiro[1,2-dihydrothioxanthene-9,18'-10,14-diazahexacyclo[13.11.0.02,13.04,11.017,25.019,24]hexacosa-1(26),2(13),3,6,8,11,15,17(25),19,21,23-undecaene].

Molecular Properties

Compound Name(6'Z,8'Z)-10',14'-diphenylspiro[1,2-dihydrothioxanthene-9,18'-10,14-diazahexacyclo[13.11.0.02,13.04,11.017,25.019,24]hexacosa-1(26),2(13),3,6,8,11,15,17(25),19,21,23-undecaene]
PubChem CID138548122
Molecular FormulaC48H34N2S
Molecular Weight670.88 g/mol
Exact Mass670.24
IUPAC Name(6'Z,8'Z)-10',14'-diphenylspiro[1,2-dihydrothioxanthene-9,18'-10,14-diazahexacyclo[13.11.0.02,13.04,11.017,25.019,24]hexacosa-1(26),2(13),3,6,8,11,15,17(25),19,21,23-undecaene]
SMILESC1=CC2=C(CC1)C1(c3ccccc3S2)c2ccccc2-c2cc3c4cc5c(cc4n(-c4ccccc4)c3cc21)N(c1ccccc1)/C=C\C=C/C5
InChIInChI=1S/C48H34N2S/c1-5-17-33(18-6-1)49-27-15-3-4-16-32-28-37-38-29-36-35-21-9-10-22-39(35)48(40-23-11-13-25-46(40)51-47-26-14-12-24-41(47)48)42(36)30-44(38)50(45(37)31-43(32)49)34-19-7-2-8-20-34/h1-11,13-15,17-23,25-31H,12,16,24H2/b4-3-,27-15-
InChIKeyOYXXKQDUGXRZAH-NZRBTEBISA-N
XLogP12.57
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500670.88
LogP ≤ 512.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (6'Z,8'Z)-10',14'-diphenylspiro[1,2-dihydrothioxanthene-9,18'-10,14-diazahexacyclo[13.11.0.02,13.04,11.017,25.019,24]hexacosa-1(26),2(13),3,6,8,11,15,17(25),19,21,23-undecaene] with MolForge

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Related Compounds

5-phenylspiro[indeno[2,1-b]carbazole-7,9'-thioxanthene]
CID 118880676
9-phenyl-2-(8-phenyl-9,9'-spirobi[1,2-dihydrothioxanthene]-3'-yl)carbazole
CID 134527572
10-phenyl-7-spiro[indeno[1,2-b]carbazole-11,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-5-yl-1,2-dihydrophenothiazine
CID 163524546
5,5'-bis(9-phenylcarbazol-2-yl)-7,7'-spirobi[indeno[2,1-b]carbazole]
CID 90337261
7-phenyl-5-spiro[fluorene-9,9'-thioxanthene]-1-ylindolo[2,3-b]carbazole
CID 146333777
5'-phenyl-3'-(9-phenylcarbazol-3-yl)spiro[fluorene-9,7'-indeno[2,1-b]carbazole]
CID 130288956
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
9-phenyl-N,N-di(spiro[fluorene-9,9'-thioxanthene]-2-yl)carbazol-2-amine
CID 164960518
3-(2-cyclohexa-1,5-dien-1-ylspiro[6H-cyclohepta[b]thiochromene-11,9'-thioxanthene]-1'-yl)-5-methyl-9-phenylcarbazole
CID 134527451
5'-phenyl-2'-(9-phenylcarbazol-1-yl)spiro[fluorene-9,7'-indeno[2,1-b]carbazole]
CID 89472005
4-methyl-5'-phenyl-2'-(9-phenylcarbazol-2-yl)spiro[3,4-dihydrofluorene-9,7'-indeno[2,1-b]carbazole]
CID 144556721
9-phenyl-N-(2-phenylphenyl)-N-spiro[1,2-dihydrofluorene-9,9'-fluorene]-3'-ylcarbazol-3-amine
CID 166705704

Frequently Asked Questions

What is the IUPAC name of (6'Z,8'Z)-10',14'-diphenylspiro[1,2-dihydrothioxanthene-9,18'-10,14-diazahexacyclo[13.11.0.02,13.04,11.017,25.019,24]hexacosa-1(26),2(13),3,6,8,11,15,17(25),19,21,23-undecaene]?
The IUPAC name of (6'Z,8'Z)-10',14'-diphenylspiro[1,2-dihydrothioxanthene-9,18'-10,14-diazahexacyclo[13.11.0.02,13.04,11.017,25.019,24]hexacosa-1(26),2(13),3,6,8,11,15,17(25),19,21,23-undecaene] (CID 138548122) is (6'Z,8'Z)-10',14'-diphenylspiro[1,2-dihydrothioxanthene-9,18'-10,14-diazahexacyclo[13.11.0.02,13.04,11.017,25.019,24]hexacosa-1(26),2(13),3,6,8,11,15,17(25),19,21,23-undecaene].
What is the SMILES notation for (6'Z,8'Z)-10',14'-diphenylspiro[1,2-dihydrothioxanthene-9,18'-10,14-diazahexacyclo[13.11.0.02,13.04,11.017,25.019,24]hexacosa-1(26),2(13),3,6,8,11,15,17(25),19,21,23-undecaene]?
The canonical SMILES for (6'Z,8'Z)-10',14'-diphenylspiro[1,2-dihydrothioxanthene-9,18'-10,14-diazahexacyclo[13.11.0.02,13.04,11.017,25.019,24]hexacosa-1(26),2(13),3,6,8,11,15,17(25),19,21,23-undecaene] is C1=CC2=C(CC1)C1(c3ccccc3S2)c2ccccc2-c2cc3c4cc5c(cc4n(-c4ccccc4)c3cc21)N(c1ccccc1)/C=C\C=C/C5.
What is the InChIKey of (6'Z,8'Z)-10',14'-diphenylspiro[1,2-dihydrothioxanthene-9,18'-10,14-diazahexacyclo[13.11.0.02,13.04,11.017,25.019,24]hexacosa-1(26),2(13),3,6,8,11,15,17(25),19,21,23-undecaene]?
The InChIKey is OYXXKQDUGXRZAH-NZRBTEBISA-N. The full InChI is InChI=1S/C48H34N2S/c1-5-17-33(18-6-1)49-27-15-3-4-16-32-28-37-38-29-36-35-21-9-10-22-39(35)48(40-23-11-13-25-46(40)51-47-26-14-12-24-41(47)48)42(36)30-44(38)50(45(37)31-43(32)49)34-19-7-2-8-20-34/h1-11,13-15,17-23,25-31H,12,16,24H2/b4-3-,27-15-.
What are the key properties of (6'Z,8'Z)-10',14'-diphenylspiro[1,2-dihydrothioxanthene-9,18'-10,14-diazahexacyclo[13.11.0.02,13.04,11.017,25.019,24]hexacosa-1(26),2(13),3,6,8,11,15,17(25),19,21,23-undecaene]?
(6'Z,8'Z)-10',14'-diphenylspiro[1,2-dihydrothioxanthene-9,18'-10,14-diazahexacyclo[13.11.0.02,13.04,11.017,25.019,24]hexacosa-1(26),2(13),3,6,8,11,15,17(25),19,21,23-undecaene] has a molecular weight of 670.88 g/mol, XLogP of 12.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6'Z,8'Z)-10',14'-diphenylspiro[1,2-dihydrothioxanthene-9,18'-10,14-diazahexacyclo[13.11.0.02,13.04,11.017,25.019,24]hexacosa-1(26),2(13),3,6,8,11,15,17(25),19,21,23-undecaene] is sourced from PubChem (CID 138548122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).