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]

C85H52N4 — CID 134555366

IUPAC23,37-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]
SMILESc1ccc(-n2c3ccccc3c3ccc(-n4c5ccccc5c5cc6c(cc54)-c4ccccc4-c4ccccc4-c4cc5c7ccccc7n(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)c5cc4C64c5ccccc5-c5ccccc54)cc32)cc1
InChIInChI=1S/C85H52N4/c1-3-23-53(24-4-1)86-77-39-19-13-33-63(77)67-45-43-55(47-81(67)86)88-80-42-22-16-36-66(80)72-50-75-70(51-83(72)88)60-30-10-8-28-58(60)57-27-7-9-29-59(57)69-49-71-65-35-15-21-41-79(65)89(84(71)52-76(69)85(75)73-37-17-11-31-61(73)62-32-12-18-38-74(62)85)56-44-46-68-64-34-14-20-40-78(64)87(82(68)48-56)54-25-5-2-6-26-54/h1-52H
InChIKeyXOGOIZFZILJXGN-UHFFFAOYSA-N
MW1129.38 g/mol
LogP21.75
Rot. Bonds4

About 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]

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] (PubChem CID 134555366) has the molecular formula C85H52N4 and a molecular weight of 1129.38 g/mol. Its IUPAC name is 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].

Molecular Properties

Compound Name23,37-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]
PubChem CID134555366
Molecular FormulaC85H52N4
Molecular Weight1129.38 g/mol
Exact Mass1128.42
IUPAC Name23,37-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]
SMILESc1ccc(-n2c3ccccc3c3ccc(-n4c5ccccc5c5cc6c(cc54)-c4ccccc4-c4ccccc4-c4cc5c7ccccc7n(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)c5cc4C64c5ccccc5-c5ccccc54)cc32)cc1
InChIInChI=1S/C85H52N4/c1-3-23-53(24-4-1)86-77-39-19-13-33-63(77)67-45-43-55(47-81(67)86)88-80-42-22-16-36-66(80)72-50-75-70(51-83(72)88)60-30-10-8-28-58(60)57-27-7-9-29-59(57)69-49-71-65-35-15-21-41-79(65)89(84(71)52-76(69)85(75)73-37-17-11-31-61(73)62-32-12-18-38-74(62)85)56-44-46-68-64-34-14-20-40-78(64)87(82(68)48-56)54-25-5-2-6-26-54/h1-52H
InChIKeyXOGOIZFZILJXGN-UHFFFAOYSA-N
XLogP21.75
TPSA19.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms89
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001129.38
LogP ≤ 521.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 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] with MolForge

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Related Compounds

5,5'-bis(9-phenylcarbazol-2-yl)-7,7'-spirobi[indeno[2,1-b]carbazole]
CID 90337261
5'-phenyl-3'-(9-phenylcarbazol-3-yl)spiro[fluorene-9,7'-indeno[2,1-b]carbazole]
CID 130288956
7,7-dimethyl-5-(9-phenylcarbazol-2-yl)indeno[2,1-b]carbazole
CID 89472164
7-phenyl-5-(9,9'-spirobi[fluorene]-2-yl)indolo[2,3-b]carbazole
CID 122595613
5'-[9-(4-methylphenyl)carbazol-3-yl]spiro[fluorene-9,11'-indeno[1,2-b]carbazole]
CID 167052788
5-phenylspiro[indeno[2,1-b]carbazole-7,9'-thioxanthene]
CID 118880676
9-phenyl-2-spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-2-ylcarbazole
CID 134528134
7,7-diphenyl-5-(3-phenylphenyl)-2-[9-(4-phenylphenyl)carbazol-3-yl]indeno[2,1-b]carbazole;11,11-diphenyl-5-(3-phenylphenyl)-2-[9-(4-phenylphenyl)carbazol-3-yl]indeno[1,2-b]carbazole
CID 161280871
7,7-diphenyl-5-(4-phenylphenyl)-2-[9-(3-phenylphenyl)carbazol-3-yl]indeno[2,1-b]carbazole;11,11-diphenyl-5-(4-phenylphenyl)-2-[9-(3-phenylphenyl)carbazol-3-yl]indeno[1,2-b]carbazole
CID 158074658
5-(5'-phenylspiro[fluorene-9,7'-indeno[2,1-b]carbazole]-3'-yl)-[1]benzothiolo[3,2-c]carbazole
CID 90057155
5-[4-(4-carbazol-9-ylphenyl)phenyl]-11,11-diphenylindeno[1,2-b]carbazole
CID 168783626
CID 134551673
CID 134551673

Frequently Asked Questions

What is the IUPAC name of 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]?
The IUPAC name of 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) is 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].
What is the SMILES notation for 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]?
The canonical SMILES for 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] is c1ccc(-n2c3ccccc3c3ccc(-n4c5ccccc5c5cc6c(cc54)-c4ccccc4-c4ccccc4-c4cc5c7ccccc7n(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)c5cc4C64c5ccccc5-c5ccccc54)cc32)cc1.
What is the InChIKey of 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]?
The InChIKey is XOGOIZFZILJXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C85H52N4/c1-3-23-53(24-4-1)86-77-39-19-13-33-63(77)67-45-43-55(47-81(67)86)88-80-42-22-16-36-66(80)72-50-75-70(51-83(72)88)60-30-10-8-28-58(60)57-27-7-9-29-59(57)69-49-71-65-35-15-21-41-79(65)89(84(71)52-76(69)85(75)73-37-17-11-31-61(73)62-32-12-18-38-74(62)85)56-44-46-68-64-34-14-20-40-78(64)87(82(68)48-56)54-25-5-2-6-26-54/h1-52H.
What are the key properties of 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]?
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] has a molecular weight of 1129.38 g/mol, XLogP of 21.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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] is sourced from PubChem (CID 134555366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).