11-(3-fluorophenyl)-3-[4-[4-[4-[14-(2-fluorophenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl]-6-[7-(2-fluorophenyl)indolo[2,3-b]carbazol-5-yl]-1,3,5-triazin-2-yl]phenyl]phenyl]-12-[4-[11-(3-fluorophenyl)indolo[2,3-a]carbazol-12-yl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole

C126H72F4N14 — CID 139479470

IUPAC11-(3-fluorophenyl)-3-[4-[4-[4-[14-(2-fluorophenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl]-6-[7-(2-fluorophenyl)indolo[2,3-b]carbazol-5-yl]-1,3,5-triazin-2-yl]phenyl]phenyl]-12-[4-[11-(3-fluorophenyl)indolo[2,3-a]carbazol-12-yl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
SMILESFc1cccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5nc(-c6ccc(-c7ccccc7)cc6)nc(-n6c7ccc(-c8ccc(-c9ccc(-c%10nc(-n%11c%12ccccc%12c%12cc%13c%14ccccc%14n(-c%14ccccc%14F)c%13cc%12%11)nc(-n%11c%12ccccc%12c%12c%13c%14ccccc%14n(-c%14ccccc%14F)c%13ccc%12%11)n%10)cc9)cc8)cc7c7ccc8c9ccccc9n(-c9cccc(F)c9)c8c76)n5)c4c32)c1
InChIInChI=1S/C126H72F4N14/c127-81-26-22-28-83(69-81)137-101-39-13-4-30-85(101)90-61-62-92-87-32-6-17-43-105(87)143(119(92)117(90)137)125-133-122(79-56-52-74(53-57-79)73-24-2-1-3-25-73)134-126(136-125)144-108-65-60-80(68-96(108)93-64-63-91-86-31-5-14-40-102(86)138(118(91)120(93)144)84-29-23-27-82(128)70-84)77-50-48-75(49-51-77)76-54-58-78(59-55-76)121-131-123(141-107-45-19-10-36-95(107)116-112(141)67-66-111-115(116)94-35-9-18-44-106(94)139(111)109-46-20-11-37-99(109)129)135-124(132-121)142-104-42-16-8-34-89(104)98-71-97-88-33-7-15-41-103(88)140(113(97)72-114(98)142)110-47-21-12-38-100(110)130/h1-72H
InChIKeyIRMZUWOLVRLKTQ-UHFFFAOYSA-N
MW1858.05 g/mol
LogP31.72
Rot. Bonds13

About 11-(3-fluorophenyl)-3-[4-[4-[4-[14-(2-fluorophenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl]-6-[7-(2-fluorophenyl)indolo[2,3-b]carbazol-5-yl]-1,3,5-triazin-2-yl]phenyl]phenyl]-12-[4-[11-(3-fluorophenyl)indolo[2,3-a]carbazol-12-yl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole

11-(3-fluorophenyl)-3-[4-[4-[4-[14-(2-fluorophenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl]-6-[7-(2-fluorophenyl)indolo[2,3-b]carbazol-5-yl]-1,3,5-triazin-2-yl]phenyl]phenyl]-12-[4-[11-(3-fluorophenyl)indolo[2,3-a]carbazol-12-yl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole (PubChem CID 139479470) has the molecular formula C126H72F4N14 and a molecular weight of 1858.05 g/mol. Its IUPAC name is 11-(3-fluorophenyl)-3-[4-[4-[4-[14-(2-fluorophenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl]-6-[7-(2-fluorophenyl)indolo[2,3-b]carbazol-5-yl]-1,3,5-triazin-2-yl]phenyl]phenyl]-12-[4-[11-(3-fluorophenyl)indolo[2,3-a]carbazol-12-yl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole.

Molecular Properties

Compound Name11-(3-fluorophenyl)-3-[4-[4-[4-[14-(2-fluorophenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl]-6-[7-(2-fluorophenyl)indolo[2,3-b]carbazol-5-yl]-1,3,5-triazin-2-yl]phenyl]phenyl]-12-[4-[11-(3-fluorophenyl)indolo[2,3-a]carbazol-12-yl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
PubChem CID139479470
Molecular FormulaC126H72F4N14
Molecular Weight1858.05 g/mol
Exact Mass1856.60
IUPAC Name11-(3-fluorophenyl)-3-[4-[4-[4-[14-(2-fluorophenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl]-6-[7-(2-fluorophenyl)indolo[2,3-b]carbazol-5-yl]-1,3,5-triazin-2-yl]phenyl]phenyl]-12-[4-[11-(3-fluorophenyl)indolo[2,3-a]carbazol-12-yl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
SMILESFc1cccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5nc(-c6ccc(-c7ccccc7)cc6)nc(-n6c7ccc(-c8ccc(-c9ccc(-c%10nc(-n%11c%12ccccc%12c%12cc%13c%14ccccc%14n(-c%14ccccc%14F)c%13cc%12%11)nc(-n%11c%12ccccc%12c%12c%13c%14ccccc%14n(-c%14ccccc%14F)c%13ccc%12%11)n%10)cc9)cc8)cc7c7ccc8c9ccccc9n(-c9cccc(F)c9)c8c76)n5)c4c32)c1
InChIInChI=1S/C126H72F4N14/c127-81-26-22-28-83(69-81)137-101-39-13-4-30-85(101)90-61-62-92-87-32-6-17-43-105(87)143(119(92)117(90)137)125-133-122(79-56-52-74(53-57-79)73-24-2-1-3-25-73)134-126(136-125)144-108-65-60-80(68-96(108)93-64-63-91-86-31-5-14-40-102(86)138(118(91)120(93)144)84-29-23-27-82(128)70-84)77-50-48-75(49-51-77)76-54-58-78(59-55-76)121-131-123(141-107-45-19-10-36-95(107)116-112(141)67-66-111-115(116)94-35-9-18-44-106(94)139(111)109-46-20-11-37-99(109)129)135-124(132-121)142-104-42-16-8-34-89(104)98-71-97-88-33-7-15-41-103(88)140(113(97)72-114(98)142)110-47-21-12-38-100(110)130/h1-72H
InChIKeyIRMZUWOLVRLKTQ-UHFFFAOYSA-N
XLogP31.72
TPSA116.78 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds13
Heavy Atoms144
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001858.05
LogP ≤ 531.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 11-(3-fluorophenyl)-3-[4-[4-[4-[14-(2-fluorophenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl]-6-[7-(2-fluorophenyl)indolo[2,3-b]carbazol-5-yl]-1,3,5-triazin-2-yl]phenyl]phenyl]-12-[4-[11-(3-fluorophenyl)indolo[2,3-a]carbazol-12-yl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 11-(3-fluorophenyl)-3-[4-[4-[4-[14-(2-fluorophenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl]-6-[7-(2-fluorophenyl)indolo[2,3-b]carbazol-5-yl]-1,3,5-triazin-2-yl]phenyl]phenyl]-12-[4-[11-(3-fluorophenyl)indolo[2,3-a]carbazol-12-yl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole?
The IUPAC name of 11-(3-fluorophenyl)-3-[4-[4-[4-[14-(2-fluorophenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl]-6-[7-(2-fluorophenyl)indolo[2,3-b]carbazol-5-yl]-1,3,5-triazin-2-yl]phenyl]phenyl]-12-[4-[11-(3-fluorophenyl)indolo[2,3-a]carbazol-12-yl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole (CID 139479470) is 11-(3-fluorophenyl)-3-[4-[4-[4-[14-(2-fluorophenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl]-6-[7-(2-fluorophenyl)indolo[2,3-b]carbazol-5-yl]-1,3,5-triazin-2-yl]phenyl]phenyl]-12-[4-[11-(3-fluorophenyl)indolo[2,3-a]carbazol-12-yl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole.
What is the SMILES notation for 11-(3-fluorophenyl)-3-[4-[4-[4-[14-(2-fluorophenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl]-6-[7-(2-fluorophenyl)indolo[2,3-b]carbazol-5-yl]-1,3,5-triazin-2-yl]phenyl]phenyl]-12-[4-[11-(3-fluorophenyl)indolo[2,3-a]carbazol-12-yl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole?
The canonical SMILES for 11-(3-fluorophenyl)-3-[4-[4-[4-[14-(2-fluorophenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl]-6-[7-(2-fluorophenyl)indolo[2,3-b]carbazol-5-yl]-1,3,5-triazin-2-yl]phenyl]phenyl]-12-[4-[11-(3-fluorophenyl)indolo[2,3-a]carbazol-12-yl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole is Fc1cccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5nc(-c6ccc(-c7ccccc7)cc6)nc(-n6c7ccc(-c8ccc(-c9ccc(-c%10nc(-n%11c%12ccccc%12c%12cc%13c%14ccccc%14n(-c%14ccccc%14F)c%13cc%12%11)nc(-n%11c%12ccccc%12c%12c%13c%14ccccc%14n(-c%14ccccc%14F)c%13ccc%12%11)n%10)cc9)cc8)cc7c7ccc8c9ccccc9n(-c9cccc(F)c9)c8c76)n5)c4c32)c1.
What is the InChIKey of 11-(3-fluorophenyl)-3-[4-[4-[4-[14-(2-fluorophenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl]-6-[7-(2-fluorophenyl)indolo[2,3-b]carbazol-5-yl]-1,3,5-triazin-2-yl]phenyl]phenyl]-12-[4-[11-(3-fluorophenyl)indolo[2,3-a]carbazol-12-yl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole?
The InChIKey is IRMZUWOLVRLKTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C126H72F4N14/c127-81-26-22-28-83(69-81)137-101-39-13-4-30-85(101)90-61-62-92-87-32-6-17-43-105(87)143(119(92)117(90)137)125-133-122(79-56-52-74(53-57-79)73-24-2-1-3-25-73)134-126(136-125)144-108-65-60-80(68-96(108)93-64-63-91-86-31-5-14-40-102(86)138(118(91)120(93)144)84-29-23-27-82(128)70-84)77-50-48-75(49-51-77)76-54-58-78(59-55-76)121-131-123(141-107-45-19-10-36-95(107)116-112(141)67-66-111-115(116)94-35-9-18-44-106(94)139(111)109-46-20-11-37-99(109)129)135-124(132-121)142-104-42-16-8-34-89(104)98-71-97-88-33-7-15-41-103(88)140(113(97)72-114(98)142)110-47-21-12-38-100(110)130/h1-72H.
What are the key properties of 11-(3-fluorophenyl)-3-[4-[4-[4-[14-(2-fluorophenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl]-6-[7-(2-fluorophenyl)indolo[2,3-b]carbazol-5-yl]-1,3,5-triazin-2-yl]phenyl]phenyl]-12-[4-[11-(3-fluorophenyl)indolo[2,3-a]carbazol-12-yl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole?
11-(3-fluorophenyl)-3-[4-[4-[4-[14-(2-fluorophenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl]-6-[7-(2-fluorophenyl)indolo[2,3-b]carbazol-5-yl]-1,3,5-triazin-2-yl]phenyl]phenyl]-12-[4-[11-(3-fluorophenyl)indolo[2,3-a]carbazol-12-yl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole has a molecular weight of 1858.05 g/mol, XLogP of 31.72, 13 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(3-fluorophenyl)-3-[4-[4-[4-[14-(2-fluorophenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl]-6-[7-(2-fluorophenyl)indolo[2,3-b]carbazol-5-yl]-1,3,5-triazin-2-yl]phenyl]phenyl]-12-[4-[11-(3-fluorophenyl)indolo[2,3-a]carbazol-12-yl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole is sourced from PubChem (CID 139479470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).