11,25-bis(3-carbazol-9-ylphenyl)-2,16-dimethyl-2,16-diphenyl-11,25-diazaheptacyclo[15.11.0.03,15.04,12.05,10.018,26.019,24]octacosa-1(17),3(15),4(12),5,7,9,13,18(26),19,21,23,27-dodecaene

C76H52N4 — CID 126569189

IUPAC11,25-bis(3-carbazol-9-ylphenyl)-2,16-dimethyl-2,16-diphenyl-11,25-diazaheptacyclo[15.11.0.03,15.04,12.05,10.018,26.019,24]octacosa-1(17),3(15),4(12),5,7,9,13,18(26),19,21,23,27-dodecaene
SMILESCC1(c2ccccc2)c2ccc3c(c2C(C)(c2ccccc2)c2ccc4c(c21)c1ccccc1n4-c1cccc(-n2c4ccccc4c4ccccc42)c1)c1ccccc1n3-c1cccc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C76H52N4/c1-75(49-23-5-3-6-24-49)61-43-45-70-72(60-36-14-20-42-68(60)80(70)54-30-22-28-52(48-54)78-65-39-17-11-33-57(65)58-34-12-18-40-66(58)78)74(61)76(2,50-25-7-4-8-26-50)62-44-46-69-71(73(62)75)59-35-13-19-41-67(59)79(69)53-29-21-27-51(47-53)77-63-37-15-9-31-55(63)56-32-10-16-38-64(56)77/h3-48H,1-2H3
InChIKeyIDIULJYVZCOGRL-UHFFFAOYSA-N
MW1021.28 g/mol
LogP19.10
Rot. Bonds6

About 11,25-bis(3-carbazol-9-ylphenyl)-2,16-dimethyl-2,16-diphenyl-11,25-diazaheptacyclo[15.11.0.03,15.04,12.05,10.018,26.019,24]octacosa-1(17),3(15),4(12),5,7,9,13,18(26),19,21,23,27-dodecaene

11,25-bis(3-carbazol-9-ylphenyl)-2,16-dimethyl-2,16-diphenyl-11,25-diazaheptacyclo[15.11.0.03,15.04,12.05,10.018,26.019,24]octacosa-1(17),3(15),4(12),5,7,9,13,18(26),19,21,23,27-dodecaene (PubChem CID 126569189) has the molecular formula C76H52N4 and a molecular weight of 1021.28 g/mol. Its IUPAC name is 11,25-bis(3-carbazol-9-ylphenyl)-2,16-dimethyl-2,16-diphenyl-11,25-diazaheptacyclo[15.11.0.03,15.04,12.05,10.018,26.019,24]octacosa-1(17),3(15),4(12),5,7,9,13,18(26),19,21,23,27-dodecaene.

Molecular Properties

Compound Name11,25-bis(3-carbazol-9-ylphenyl)-2,16-dimethyl-2,16-diphenyl-11,25-diazaheptacyclo[15.11.0.03,15.04,12.05,10.018,26.019,24]octacosa-1(17),3(15),4(12),5,7,9,13,18(26),19,21,23,27-dodecaene
PubChem CID126569189
Molecular FormulaC76H52N4
Molecular Weight1021.28 g/mol
Exact Mass1020.42
IUPAC Name11,25-bis(3-carbazol-9-ylphenyl)-2,16-dimethyl-2,16-diphenyl-11,25-diazaheptacyclo[15.11.0.03,15.04,12.05,10.018,26.019,24]octacosa-1(17),3(15),4(12),5,7,9,13,18(26),19,21,23,27-dodecaene
SMILESCC1(c2ccccc2)c2ccc3c(c2C(C)(c2ccccc2)c2ccc4c(c21)c1ccccc1n4-c1cccc(-n2c4ccccc4c4ccccc42)c1)c1ccccc1n3-c1cccc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C76H52N4/c1-75(49-23-5-3-6-24-49)61-43-45-70-72(60-36-14-20-42-68(60)80(70)54-30-22-28-52(48-54)78-65-39-17-11-33-57(65)58-34-12-18-40-66(58)78)74(61)76(2,50-25-7-4-8-26-50)62-44-46-69-71(73(62)75)59-35-13-19-41-67(59)79(69)53-29-21-27-51(47-53)77-63-37-15-9-31-55(63)56-32-10-16-38-64(56)77/h3-48H,1-2H3
InChIKeyIDIULJYVZCOGRL-UHFFFAOYSA-N
XLogP19.10
TPSA19.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001021.28
LogP ≤ 519.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 11,25-bis(3-carbazol-9-ylphenyl)-2,16-dimethyl-2,16-diphenyl-11,25-diazaheptacyclo[15.11.0.03,15.04,12.05,10.018,26.019,24]octacosa-1(17),3(15),4(12),5,7,9,13,18(26),19,21,23,27-dodecaene with MolForge

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Related Compounds

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11,25-bis(3-carbazol-9-ylphenyl)-16,16-dimethyl-2-oxa-11,25-diazaheptacyclo[15.11.0.03,15.04,12.05,10.018,26.019,24]octacosa-1(17),3(15),4(12),5,7,9,13,18(26),19,21,23,27-dodecaene
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9-[3-(3-carbazol-9-ylphenyl)phenyl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 134168669
9-(4-carbazol-9-ylphenyl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(9,9-dimethylfluoren-3-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-phenyl-14-(9-phenylcarbazol-3-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
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5-(3-carbazol-9-ylphenyl)-11-[3-[12-(3-carbazol-9-ylphenyl)indolo[3,2-c]carbazol-5-yl]phenyl]indolo[3,2-b]carbazole
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CID 88917462

Frequently Asked Questions

What is the IUPAC name of 11,25-bis(3-carbazol-9-ylphenyl)-2,16-dimethyl-2,16-diphenyl-11,25-diazaheptacyclo[15.11.0.03,15.04,12.05,10.018,26.019,24]octacosa-1(17),3(15),4(12),5,7,9,13,18(26),19,21,23,27-dodecaene?
The IUPAC name of 11,25-bis(3-carbazol-9-ylphenyl)-2,16-dimethyl-2,16-diphenyl-11,25-diazaheptacyclo[15.11.0.03,15.04,12.05,10.018,26.019,24]octacosa-1(17),3(15),4(12),5,7,9,13,18(26),19,21,23,27-dodecaene (CID 126569189) is 11,25-bis(3-carbazol-9-ylphenyl)-2,16-dimethyl-2,16-diphenyl-11,25-diazaheptacyclo[15.11.0.03,15.04,12.05,10.018,26.019,24]octacosa-1(17),3(15),4(12),5,7,9,13,18(26),19,21,23,27-dodecaene.
What is the SMILES notation for 11,25-bis(3-carbazol-9-ylphenyl)-2,16-dimethyl-2,16-diphenyl-11,25-diazaheptacyclo[15.11.0.03,15.04,12.05,10.018,26.019,24]octacosa-1(17),3(15),4(12),5,7,9,13,18(26),19,21,23,27-dodecaene?
The canonical SMILES for 11,25-bis(3-carbazol-9-ylphenyl)-2,16-dimethyl-2,16-diphenyl-11,25-diazaheptacyclo[15.11.0.03,15.04,12.05,10.018,26.019,24]octacosa-1(17),3(15),4(12),5,7,9,13,18(26),19,21,23,27-dodecaene is CC1(c2ccccc2)c2ccc3c(c2C(C)(c2ccccc2)c2ccc4c(c21)c1ccccc1n4-c1cccc(-n2c4ccccc4c4ccccc42)c1)c1ccccc1n3-c1cccc(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 11,25-bis(3-carbazol-9-ylphenyl)-2,16-dimethyl-2,16-diphenyl-11,25-diazaheptacyclo[15.11.0.03,15.04,12.05,10.018,26.019,24]octacosa-1(17),3(15),4(12),5,7,9,13,18(26),19,21,23,27-dodecaene?
The InChIKey is IDIULJYVZCOGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H52N4/c1-75(49-23-5-3-6-24-49)61-43-45-70-72(60-36-14-20-42-68(60)80(70)54-30-22-28-52(48-54)78-65-39-17-11-33-57(65)58-34-12-18-40-66(58)78)74(61)76(2,50-25-7-4-8-26-50)62-44-46-69-71(73(62)75)59-35-13-19-41-67(59)79(69)53-29-21-27-51(47-53)77-63-37-15-9-31-55(63)56-32-10-16-38-64(56)77/h3-48H,1-2H3.
What are the key properties of 11,25-bis(3-carbazol-9-ylphenyl)-2,16-dimethyl-2,16-diphenyl-11,25-diazaheptacyclo[15.11.0.03,15.04,12.05,10.018,26.019,24]octacosa-1(17),3(15),4(12),5,7,9,13,18(26),19,21,23,27-dodecaene?
11,25-bis(3-carbazol-9-ylphenyl)-2,16-dimethyl-2,16-diphenyl-11,25-diazaheptacyclo[15.11.0.03,15.04,12.05,10.018,26.019,24]octacosa-1(17),3(15),4(12),5,7,9,13,18(26),19,21,23,27-dodecaene has a molecular weight of 1021.28 g/mol, XLogP of 19.10, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11,25-bis(3-carbazol-9-ylphenyl)-2,16-dimethyl-2,16-diphenyl-11,25-diazaheptacyclo[15.11.0.03,15.04,12.05,10.018,26.019,24]octacosa-1(17),3(15),4(12),5,7,9,13,18(26),19,21,23,27-dodecaene is sourced from PubChem (CID 126569189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).