9-[4-[3,3,9-tris(4-pyrido[2,3-b]indol-9-ylphenyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]phenyl]pyrido[2,3-b]indole

C75H52N8O4 — CID 163902818

IUPAC9-[4-[3,3,9-tris(4-pyrido[2,3-b]indol-9-ylphenyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]phenyl]pyrido[2,3-b]indole
SMILESc1ccc2c(c1)c1cccnc1n2-c1ccc(C2(c3ccc(-n4c5ccccc5c5cccnc54)cc3)OCC3(CO2)COC(c2ccc(-n4c5ccccc5c5cccnc54)cc2)(c2ccc(-n4c5ccccc5c5cccnc54)cc2)OC3)cc1
InChIInChI=1S/C75H52N8O4/c1-5-21-65-57(13-1)61-17-9-41-76-69(61)80(65)53-33-25-49(26-34-53)74(50-27-35-54(36-28-50)81-66-22-6-2-14-58(66)62-18-10-42-77-70(62)81)84-45-73(46-85-74)47-86-75(87-48-73,51-29-37-55(38-30-51)82-67-23-7-3-15-59(67)63-19-11-43-78-71(63)82)52-31-39-56(40-32-52)83-68-24-8-4-16-60(68)64-20-12-44-79-72(64)83/h1-44H,45-48H2
InChIKeyQLIQPJVAQJQZEC-UHFFFAOYSA-N
MW1129.29 g/mol
LogP15.84
Rot. Bonds8

About 9-[4-[3,3,9-tris(4-pyrido[2,3-b]indol-9-ylphenyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]phenyl]pyrido[2,3-b]indole

9-[4-[3,3,9-tris(4-pyrido[2,3-b]indol-9-ylphenyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]phenyl]pyrido[2,3-b]indole (PubChem CID 163902818) has the molecular formula C75H52N8O4 and a molecular weight of 1129.29 g/mol. Its IUPAC name is 9-[4-[3,3,9-tris(4-pyrido[2,3-b]indol-9-ylphenyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]phenyl]pyrido[2,3-b]indole.

Molecular Properties

Compound Name9-[4-[3,3,9-tris(4-pyrido[2,3-b]indol-9-ylphenyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]phenyl]pyrido[2,3-b]indole
PubChem CID163902818
Molecular FormulaC75H52N8O4
Molecular Weight1129.29 g/mol
Exact Mass1128.41
IUPAC Name9-[4-[3,3,9-tris(4-pyrido[2,3-b]indol-9-ylphenyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]phenyl]pyrido[2,3-b]indole
SMILESc1ccc2c(c1)c1cccnc1n2-c1ccc(C2(c3ccc(-n4c5ccccc5c5cccnc54)cc3)OCC3(CO2)COC(c2ccc(-n4c5ccccc5c5cccnc54)cc2)(c2ccc(-n4c5ccccc5c5cccnc54)cc2)OC3)cc1
InChIInChI=1S/C75H52N8O4/c1-5-21-65-57(13-1)61-17-9-41-76-69(61)80(65)53-33-25-49(26-34-53)74(50-27-35-54(36-28-50)81-66-22-6-2-14-58(66)62-18-10-42-77-70(62)81)84-45-73(46-85-74)47-86-75(87-48-73,51-29-37-55(38-30-51)82-67-23-7-3-15-59(67)63-19-11-43-78-71(63)82)52-31-39-56(40-32-52)83-68-24-8-4-16-60(68)64-20-12-44-79-72(64)83/h1-44H,45-48H2
InChIKeyQLIQPJVAQJQZEC-UHFFFAOYSA-N
XLogP15.84
TPSA108.20 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms87
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001129.29
LogP ≤ 515.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 9-[4-[3,3,9-tris(4-pyrido[2,3-b]indol-9-ylphenyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]phenyl]pyrido[2,3-b]indole with MolForge

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Related Compounds

9-phenylpyrido[2,3-b]indole
CID 15939260
6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenylpyrido[2,3-b]indole
CID 168845228
9-(4-phenylphenyl)-7-[9-(4-phenylphenyl)carbazol-2-yl]pyrido[2,3-b]indole
CID 118587534
9-(4-butan-2-ylphenyl)pyrido[2,3-b]indole
CID 59344123
9-(8-pyrido[2,3-b]indol-9-yldibenzothiophen-2-yl)pyrido[2,3-b]indole
CID 132568147
16-(2-pyrido[2,3-b]indol-9-ylcarbazol-9-yl)-1,3-diazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene
CID 140680827
9-(3-phenylphenyl)-7-[9-(3-phenylphenyl)carbazol-2-yl]pyrido[2,3-b]indole;9-(4-phenylphenyl)-7-[9-(3-phenylphenyl)carbazol-2-yl]pyrido[2,3-b]indole
CID 157472060
13-(4-pyrido[2,3-b]indol-9-ylphenyl)-13,23-diazaoctacyclo[14.13.1.02,14.03,12.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene
CID 130259576
6-pyrido[2,3-b]indol-9-yl-9-tetraphenylen-2-ylpyrido[2,3-b]indole
CID 137095996
7-methyl-9-phenylpyrido[2,3-b]indole
CID 140770345
10-pyrido[2,3-b]indol-9-yl-3,24-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(20),2(7),3,5,8(13),9,11,14,16,18,21,23-dodecaene
CID 140920315
9-(3-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-2-yl]pyrido[2,3-b]indole;9-(4-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-2-yl]pyrido[2,3-b]indole;9-(4-phenylphenyl)-6-[9-(4-phenylphenyl)carbazol-2-yl]pyrido[2,3-b]indole
CID 159710225

Frequently Asked Questions

What is the IUPAC name of 9-[4-[3,3,9-tris(4-pyrido[2,3-b]indol-9-ylphenyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]phenyl]pyrido[2,3-b]indole?
The IUPAC name of 9-[4-[3,3,9-tris(4-pyrido[2,3-b]indol-9-ylphenyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]phenyl]pyrido[2,3-b]indole (CID 163902818) is 9-[4-[3,3,9-tris(4-pyrido[2,3-b]indol-9-ylphenyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]phenyl]pyrido[2,3-b]indole.
What is the SMILES notation for 9-[4-[3,3,9-tris(4-pyrido[2,3-b]indol-9-ylphenyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]phenyl]pyrido[2,3-b]indole?
The canonical SMILES for 9-[4-[3,3,9-tris(4-pyrido[2,3-b]indol-9-ylphenyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]phenyl]pyrido[2,3-b]indole is c1ccc2c(c1)c1cccnc1n2-c1ccc(C2(c3ccc(-n4c5ccccc5c5cccnc54)cc3)OCC3(CO2)COC(c2ccc(-n4c5ccccc5c5cccnc54)cc2)(c2ccc(-n4c5ccccc5c5cccnc54)cc2)OC3)cc1.
What is the InChIKey of 9-[4-[3,3,9-tris(4-pyrido[2,3-b]indol-9-ylphenyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]phenyl]pyrido[2,3-b]indole?
The InChIKey is QLIQPJVAQJQZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H52N8O4/c1-5-21-65-57(13-1)61-17-9-41-76-69(61)80(65)53-33-25-49(26-34-53)74(50-27-35-54(36-28-50)81-66-22-6-2-14-58(66)62-18-10-42-77-70(62)81)84-45-73(46-85-74)47-86-75(87-48-73,51-29-37-55(38-30-51)82-67-23-7-3-15-59(67)63-19-11-43-78-71(63)82)52-31-39-56(40-32-52)83-68-24-8-4-16-60(68)64-20-12-44-79-72(64)83/h1-44H,45-48H2.
What are the key properties of 9-[4-[3,3,9-tris(4-pyrido[2,3-b]indol-9-ylphenyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]phenyl]pyrido[2,3-b]indole?
9-[4-[3,3,9-tris(4-pyrido[2,3-b]indol-9-ylphenyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]phenyl]pyrido[2,3-b]indole has a molecular weight of 1129.29 g/mol, XLogP of 15.84, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[3,3,9-tris(4-pyrido[2,3-b]indol-9-ylphenyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]phenyl]pyrido[2,3-b]indole is sourced from PubChem (CID 163902818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).