19,24-bis(3-carbazol-9-ylcarbazol-9-yl)-5,31,38-triphenyl-12-oxa-5,17,38-triazanonacyclo[26.12.0.02,15.04,13.06,11.016,21.022,27.030,39.032,37]tetraconta-1(40),2,4(13),6,8,10,14,16(21),17,19,22(27),23,25,28,30(39),32,34,36-octadecaene

C102H63N7O — CID 134428544

IUPAC19,24-bis(3-carbazol-9-ylcarbazol-9-yl)-5,31,38-triphenyl-12-oxa-5,17,38-triazanonacyclo[26.12.0.02,15.04,13.06,11.016,21.022,27.030,39.032,37]tetraconta-1(40),2,4(13),6,8,10,14,16(21),17,19,22(27),23,25,28,30(39),32,34,36-octadecaene
SMILESc1ccc(C2c3ccccc3N(c3ccccc3)c3cc4c(cc32)c2ccc(-n3c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc53)cc2c2cc(-n3c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc53)cnc2c2cc3oc5ccccc5n(-c5ccccc5)c3cc42)cc1
InChIInChI=1S/C102H63N7O/c1-4-26-63(27-5-1)101-77-38-16-23-45-93(77)104(64-28-6-2-7-29-64)97-59-80-79(58-86(97)101)70-51-48-66(108-91-43-21-14-36-75(91)82-55-67(49-52-94(82)108)106-87-39-17-10-32-71(87)72-33-11-18-40-88(72)106)54-78(70)84-57-69(62-103-102(84)85-61-100-98(60-81(80)85)105(65-30-8-3-9-31-65)96-46-24-25-47-99(96)110-100)109-92-44-22-15-37-76(92)83-56-68(50-53-95(83)109)107-89-41-19-12-34-73(89)74-35-13-20-42-90(74)107/h1-62,101H/b79-70-,81-80-,84-78-,102-85+
InChIKeyZAOCULBWXIYKJD-WDJLKMMLSA-N
MW1402.67 g/mol
LogP26.86
Rot. Bonds7

About 19,24-bis(3-carbazol-9-ylcarbazol-9-yl)-5,31,38-triphenyl-12-oxa-5,17,38-triazanonacyclo[26.12.0.02,15.04,13.06,11.016,21.022,27.030,39.032,37]tetraconta-1(40),2,4(13),6,8,10,14,16(21),17,19,22(27),23,25,28,30(39),32,34,36-octadecaene

19,24-bis(3-carbazol-9-ylcarbazol-9-yl)-5,31,38-triphenyl-12-oxa-5,17,38-triazanonacyclo[26.12.0.02,15.04,13.06,11.016,21.022,27.030,39.032,37]tetraconta-1(40),2,4(13),6,8,10,14,16(21),17,19,22(27),23,25,28,30(39),32,34,36-octadecaene (PubChem CID 134428544) has the molecular formula C102H63N7O and a molecular weight of 1402.67 g/mol. Its IUPAC name is 19,24-bis(3-carbazol-9-ylcarbazol-9-yl)-5,31,38-triphenyl-12-oxa-5,17,38-triazanonacyclo[26.12.0.02,15.04,13.06,11.016,21.022,27.030,39.032,37]tetraconta-1(40),2,4(13),6,8,10,14,16(21),17,19,22(27),23,25,28,30(39),32,34,36-octadecaene.

Molecular Properties

Compound Name19,24-bis(3-carbazol-9-ylcarbazol-9-yl)-5,31,38-triphenyl-12-oxa-5,17,38-triazanonacyclo[26.12.0.02,15.04,13.06,11.016,21.022,27.030,39.032,37]tetraconta-1(40),2,4(13),6,8,10,14,16(21),17,19,22(27),23,25,28,30(39),32,34,36-octadecaene
PubChem CID134428544
Molecular FormulaC102H63N7O
Molecular Weight1402.67 g/mol
Exact Mass1401.51
IUPAC Name19,24-bis(3-carbazol-9-ylcarbazol-9-yl)-5,31,38-triphenyl-12-oxa-5,17,38-triazanonacyclo[26.12.0.02,15.04,13.06,11.016,21.022,27.030,39.032,37]tetraconta-1(40),2,4(13),6,8,10,14,16(21),17,19,22(27),23,25,28,30(39),32,34,36-octadecaene
SMILESc1ccc(C2c3ccccc3N(c3ccccc3)c3cc4c(cc32)c2ccc(-n3c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc53)cc2c2cc(-n3c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc53)cnc2c2cc3oc5ccccc5n(-c5ccccc5)c3cc42)cc1
InChIInChI=1S/C102H63N7O/c1-4-26-63(27-5-1)101-77-38-16-23-45-93(77)104(64-28-6-2-7-29-64)97-59-80-79(58-86(97)101)70-51-48-66(108-91-43-21-14-36-75(91)82-55-67(49-52-94(82)108)106-87-39-17-10-32-71(87)72-33-11-18-40-88(72)106)54-78(70)84-57-69(62-103-102(84)85-61-100-98(60-81(80)85)105(65-30-8-3-9-31-65)96-46-24-25-47-99(96)110-100)109-92-44-22-15-37-76(92)83-56-68(50-53-95(83)109)107-89-41-19-12-34-73(89)74-35-13-20-42-90(74)107/h1-62,101H/b79-70-,81-80-,84-78-,102-85+
InChIKeyZAOCULBWXIYKJD-WDJLKMMLSA-N
XLogP26.86
TPSA53.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms110
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001402.67
LogP ≤ 526.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 19,24-bis(3-carbazol-9-ylcarbazol-9-yl)-5,31,38-triphenyl-12-oxa-5,17,38-triazanonacyclo[26.12.0.02,15.04,13.06,11.016,21.022,27.030,39.032,37]tetraconta-1(40),2,4(13),6,8,10,14,16(21),17,19,22(27),23,25,28,30(39),32,34,36-octadecaene with MolForge

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Related Compounds

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1-(2,6-Dimethoxy-4-phenylphenyl)-2-phenylpyrrole;1-[4-(3,5-dimethylphenyl)-2,6-di(propan-2-yl)phenyl]-2-phenylpyrrole;1-[4-(4-methylphenyl)-2,6-di(propan-2-yl)phenyl]-2-phenylpyrrole;2-phenyl-1-[4-phenyl-2,6-bis(trifluoromethyl)phenyl]pyrrole;5-phenyl-2-[4-(2-phenylpyrrol-1-yl)-3,5-di(propan-2-yl)phenyl]pyrido[3,2-b]indole;8-[4-(2-phenylpyrrol-1-yl)-3,5-di(propan-2-yl)phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
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CID 57958310
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Frequently Asked Questions

What is the IUPAC name of 19,24-bis(3-carbazol-9-ylcarbazol-9-yl)-5,31,38-triphenyl-12-oxa-5,17,38-triazanonacyclo[26.12.0.02,15.04,13.06,11.016,21.022,27.030,39.032,37]tetraconta-1(40),2,4(13),6,8,10,14,16(21),17,19,22(27),23,25,28,30(39),32,34,36-octadecaene?
The IUPAC name of 19,24-bis(3-carbazol-9-ylcarbazol-9-yl)-5,31,38-triphenyl-12-oxa-5,17,38-triazanonacyclo[26.12.0.02,15.04,13.06,11.016,21.022,27.030,39.032,37]tetraconta-1(40),2,4(13),6,8,10,14,16(21),17,19,22(27),23,25,28,30(39),32,34,36-octadecaene (CID 134428544) is 19,24-bis(3-carbazol-9-ylcarbazol-9-yl)-5,31,38-triphenyl-12-oxa-5,17,38-triazanonacyclo[26.12.0.02,15.04,13.06,11.016,21.022,27.030,39.032,37]tetraconta-1(40),2,4(13),6,8,10,14,16(21),17,19,22(27),23,25,28,30(39),32,34,36-octadecaene.
What is the SMILES notation for 19,24-bis(3-carbazol-9-ylcarbazol-9-yl)-5,31,38-triphenyl-12-oxa-5,17,38-triazanonacyclo[26.12.0.02,15.04,13.06,11.016,21.022,27.030,39.032,37]tetraconta-1(40),2,4(13),6,8,10,14,16(21),17,19,22(27),23,25,28,30(39),32,34,36-octadecaene?
The canonical SMILES for 19,24-bis(3-carbazol-9-ylcarbazol-9-yl)-5,31,38-triphenyl-12-oxa-5,17,38-triazanonacyclo[26.12.0.02,15.04,13.06,11.016,21.022,27.030,39.032,37]tetraconta-1(40),2,4(13),6,8,10,14,16(21),17,19,22(27),23,25,28,30(39),32,34,36-octadecaene is c1ccc(C2c3ccccc3N(c3ccccc3)c3cc4c(cc32)c2ccc(-n3c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc53)cc2c2cc(-n3c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc53)cnc2c2cc3oc5ccccc5n(-c5ccccc5)c3cc42)cc1.
What is the InChIKey of 19,24-bis(3-carbazol-9-ylcarbazol-9-yl)-5,31,38-triphenyl-12-oxa-5,17,38-triazanonacyclo[26.12.0.02,15.04,13.06,11.016,21.022,27.030,39.032,37]tetraconta-1(40),2,4(13),6,8,10,14,16(21),17,19,22(27),23,25,28,30(39),32,34,36-octadecaene?
The InChIKey is ZAOCULBWXIYKJD-WDJLKMMLSA-N. The full InChI is InChI=1S/C102H63N7O/c1-4-26-63(27-5-1)101-77-38-16-23-45-93(77)104(64-28-6-2-7-29-64)97-59-80-79(58-86(97)101)70-51-48-66(108-91-43-21-14-36-75(91)82-55-67(49-52-94(82)108)106-87-39-17-10-32-71(87)72-33-11-18-40-88(72)106)54-78(70)84-57-69(62-103-102(84)85-61-100-98(60-81(80)85)105(65-30-8-3-9-31-65)96-46-24-25-47-99(96)110-100)109-92-44-22-15-37-76(92)83-56-68(50-53-95(83)109)107-89-41-19-12-34-73(89)74-35-13-20-42-90(74)107/h1-62,101H/b79-70-,81-80-,84-78-,102-85+.
What are the key properties of 19,24-bis(3-carbazol-9-ylcarbazol-9-yl)-5,31,38-triphenyl-12-oxa-5,17,38-triazanonacyclo[26.12.0.02,15.04,13.06,11.016,21.022,27.030,39.032,37]tetraconta-1(40),2,4(13),6,8,10,14,16(21),17,19,22(27),23,25,28,30(39),32,34,36-octadecaene?
19,24-bis(3-carbazol-9-ylcarbazol-9-yl)-5,31,38-triphenyl-12-oxa-5,17,38-triazanonacyclo[26.12.0.02,15.04,13.06,11.016,21.022,27.030,39.032,37]tetraconta-1(40),2,4(13),6,8,10,14,16(21),17,19,22(27),23,25,28,30(39),32,34,36-octadecaene has a molecular weight of 1402.67 g/mol, XLogP of 26.86, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 19,24-bis(3-carbazol-9-ylcarbazol-9-yl)-5,31,38-triphenyl-12-oxa-5,17,38-triazanonacyclo[26.12.0.02,15.04,13.06,11.016,21.022,27.030,39.032,37]tetraconta-1(40),2,4(13),6,8,10,14,16(21),17,19,22(27),23,25,28,30(39),32,34,36-octadecaene is sourced from PubChem (CID 134428544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).