3-[8-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-3-yl]dibenzofuran-2-yl]-9-[4-[3-[4-[6-[8-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-3-yl]dibenzothiophen-2-yl]-9-phenylcarbazol-4-yl]-6-[(3E)-penta-1,3-dien-3-yl]-1,3,5-triazin-2-yl]phenyl]phenyl]-5-[4-[(3E)-penta-1,3-dien-3-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole

C154H98N16OS — CID 139518251

IUPAC3-[8-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-3-yl]dibenzofuran-2-yl]-9-[4-[3-[4-[6-[8-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-3-yl]dibenzothiophen-2-yl]-9-phenylcarbazol-4-yl]-6-[(3E)-penta-1,3-dien-3-yl]-1,3,5-triazin-2-yl]phenyl]phenyl]-5-[4-[(3E)-penta-1,3-dien-3-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
SMILESC=C/C(=C\C)c1nc(-c2ccccc2)nc(-c2cccc3c2c2cc(-c4ccc5oc6ccc(-c7ccc8c(c7)c7c(-c9nc(-c%10ccccc%10)nc(-c%10ccccc%10)n9)cccc7n8-c7ccccc7)cc6c5c4)ccc2n3-c2ccc(-c3cccc(-c4nc(/C(C=C)=C/C)nc(-c5cccc6c5c5cc(-c7ccc8sc9ccc(-c%10ccc%11c(c%10)c%10c(-c%12nc(-c%13ccccc%13)nc(-c%13ccccc%13)n%12)cccc%10n%11-c%10ccccc%10)cc9c8c7)ccc5n6-c5ccccc5)n4)c3)cc2)n1
InChIInChI=1S/C154H98N16OS/c1-5-93(6-2)143-155-145(96-38-17-9-18-39-96)161-151(159-143)115-56-37-63-134-142(115)126-90-103(107-71-81-136-120(86-107)119-85-106(70-80-135(119)171-136)102-66-76-127-123(89-102)140-117(58-35-61-132(140)167(127)111-50-27-14-28-51-111)153-162-146(97-40-19-10-20-41-97)157-147(163-153)98-42-21-11-22-43-98)67-79-130(126)170(134)114-74-64-95(65-75-114)101-48-33-49-110(84-101)150-156-144(94(7-3)8-4)160-152(166-150)116-57-34-60-131-139(116)124-91-104(68-77-128(124)168(131)112-52-29-15-30-53-112)108-72-82-137-121(87-108)122-88-109(73-83-138(122)172-137)105-69-78-129-125(92-105)141-118(59-36-62-133(141)169(129)113-54-31-16-32-55-113)154-164-148(99-44-23-12-24-45-99)158-149(165-154)100-46-25-13-26-47-100/h5-92H,1,3H2,2,4H3/b93-6+,94-8+
InChIKeyRXPRWINNRRMWCX-JPSJTRHASA-N
MW2220.66 g/mol
LogP39.27
Rot. Bonds23

About 3-[8-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-3-yl]dibenzofuran-2-yl]-9-[4-[3-[4-[6-[8-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-3-yl]dibenzothiophen-2-yl]-9-phenylcarbazol-4-yl]-6-[(3E)-penta-1,3-dien-3-yl]-1,3,5-triazin-2-yl]phenyl]phenyl]-5-[4-[(3E)-penta-1,3-dien-3-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole

3-[8-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-3-yl]dibenzofuran-2-yl]-9-[4-[3-[4-[6-[8-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-3-yl]dibenzothiophen-2-yl]-9-phenylcarbazol-4-yl]-6-[(3E)-penta-1,3-dien-3-yl]-1,3,5-triazin-2-yl]phenyl]phenyl]-5-[4-[(3E)-penta-1,3-dien-3-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole (PubChem CID 139518251) has the molecular formula C154H98N16OS and a molecular weight of 2220.66 g/mol. Its IUPAC name is 3-[8-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-3-yl]dibenzofuran-2-yl]-9-[4-[3-[4-[6-[8-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-3-yl]dibenzothiophen-2-yl]-9-phenylcarbazol-4-yl]-6-[(3E)-penta-1,3-dien-3-yl]-1,3,5-triazin-2-yl]phenyl]phenyl]-5-[4-[(3E)-penta-1,3-dien-3-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole.

Molecular Properties

Compound Name3-[8-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-3-yl]dibenzofuran-2-yl]-9-[4-[3-[4-[6-[8-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-3-yl]dibenzothiophen-2-yl]-9-phenylcarbazol-4-yl]-6-[(3E)-penta-1,3-dien-3-yl]-1,3,5-triazin-2-yl]phenyl]phenyl]-5-[4-[(3E)-penta-1,3-dien-3-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
PubChem CID139518251
Molecular FormulaC154H98N16OS
Molecular Weight2220.66 g/mol
Exact Mass2218.78
IUPAC Name3-[8-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-3-yl]dibenzofuran-2-yl]-9-[4-[3-[4-[6-[8-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-3-yl]dibenzothiophen-2-yl]-9-phenylcarbazol-4-yl]-6-[(3E)-penta-1,3-dien-3-yl]-1,3,5-triazin-2-yl]phenyl]phenyl]-5-[4-[(3E)-penta-1,3-dien-3-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
SMILESC=C/C(=C\C)c1nc(-c2ccccc2)nc(-c2cccc3c2c2cc(-c4ccc5oc6ccc(-c7ccc8c(c7)c7c(-c9nc(-c%10ccccc%10)nc(-c%10ccccc%10)n9)cccc7n8-c7ccccc7)cc6c5c4)ccc2n3-c2ccc(-c3cccc(-c4nc(/C(C=C)=C/C)nc(-c5cccc6c5c5cc(-c7ccc8sc9ccc(-c%10ccc%11c(c%10)c%10c(-c%12nc(-c%13ccccc%13)nc(-c%13ccccc%13)n%12)cccc%10n%11-c%10ccccc%10)cc9c8c7)ccc5n6-c5ccccc5)n4)c3)cc2)n1
InChIInChI=1S/C154H98N16OS/c1-5-93(6-2)143-155-145(96-38-17-9-18-39-96)161-151(159-143)115-56-37-63-134-142(115)126-90-103(107-71-81-136-120(86-107)119-85-106(70-80-135(119)171-136)102-66-76-127-123(89-102)140-117(58-35-61-132(140)167(127)111-50-27-14-28-51-111)153-162-146(97-40-19-10-20-41-97)157-147(163-153)98-42-21-11-22-43-98)67-79-130(126)170(134)114-74-64-95(65-75-114)101-48-33-49-110(84-101)150-156-144(94(7-3)8-4)160-152(166-150)116-57-34-60-131-139(116)124-91-104(68-77-128(124)168(131)112-52-29-15-30-53-112)108-72-82-137-121(87-108)122-88-109(73-83-138(122)172-137)105-69-78-129-125(92-105)141-118(59-36-62-133(141)169(129)113-54-31-16-32-55-113)154-164-148(99-44-23-12-24-45-99)158-149(165-154)100-46-25-13-26-47-100/h5-92H,1,3H2,2,4H3/b93-6+,94-8+
InChIKeyRXPRWINNRRMWCX-JPSJTRHASA-N
XLogP39.27
TPSA187.54 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds23
Heavy Atoms172
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002220.66
LogP ≤ 539.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze 3-[8-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-3-yl]dibenzofuran-2-yl]-9-[4-[3-[4-[6-[8-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-3-yl]dibenzothiophen-2-yl]-9-phenylcarbazol-4-yl]-6-[(3E)-penta-1,3-dien-3-yl]-1,3,5-triazin-2-yl]phenyl]phenyl]-5-[4-[(3E)-penta-1,3-dien-3-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[8-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-3-yl]dibenzofuran-2-yl]-9-[4-[3-[4-[6-[8-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-3-yl]dibenzothiophen-2-yl]-9-phenylcarbazol-4-yl]-6-[(3E)-penta-1,3-dien-3-yl]-1,3,5-triazin-2-yl]phenyl]phenyl]-5-[4-[(3E)-penta-1,3-dien-3-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole?
The IUPAC name of 3-[8-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-3-yl]dibenzofuran-2-yl]-9-[4-[3-[4-[6-[8-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-3-yl]dibenzothiophen-2-yl]-9-phenylcarbazol-4-yl]-6-[(3E)-penta-1,3-dien-3-yl]-1,3,5-triazin-2-yl]phenyl]phenyl]-5-[4-[(3E)-penta-1,3-dien-3-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole (CID 139518251) is 3-[8-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-3-yl]dibenzofuran-2-yl]-9-[4-[3-[4-[6-[8-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-3-yl]dibenzothiophen-2-yl]-9-phenylcarbazol-4-yl]-6-[(3E)-penta-1,3-dien-3-yl]-1,3,5-triazin-2-yl]phenyl]phenyl]-5-[4-[(3E)-penta-1,3-dien-3-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole.
What is the SMILES notation for 3-[8-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-3-yl]dibenzofuran-2-yl]-9-[4-[3-[4-[6-[8-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-3-yl]dibenzothiophen-2-yl]-9-phenylcarbazol-4-yl]-6-[(3E)-penta-1,3-dien-3-yl]-1,3,5-triazin-2-yl]phenyl]phenyl]-5-[4-[(3E)-penta-1,3-dien-3-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole?
The canonical SMILES for 3-[8-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-3-yl]dibenzofuran-2-yl]-9-[4-[3-[4-[6-[8-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-3-yl]dibenzothiophen-2-yl]-9-phenylcarbazol-4-yl]-6-[(3E)-penta-1,3-dien-3-yl]-1,3,5-triazin-2-yl]phenyl]phenyl]-5-[4-[(3E)-penta-1,3-dien-3-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole is C=C/C(=C\C)c1nc(-c2ccccc2)nc(-c2cccc3c2c2cc(-c4ccc5oc6ccc(-c7ccc8c(c7)c7c(-c9nc(-c%10ccccc%10)nc(-c%10ccccc%10)n9)cccc7n8-c7ccccc7)cc6c5c4)ccc2n3-c2ccc(-c3cccc(-c4nc(/C(C=C)=C/C)nc(-c5cccc6c5c5cc(-c7ccc8sc9ccc(-c%10ccc%11c(c%10)c%10c(-c%12nc(-c%13ccccc%13)nc(-c%13ccccc%13)n%12)cccc%10n%11-c%10ccccc%10)cc9c8c7)ccc5n6-c5ccccc5)n4)c3)cc2)n1.
What is the InChIKey of 3-[8-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-3-yl]dibenzofuran-2-yl]-9-[4-[3-[4-[6-[8-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-3-yl]dibenzothiophen-2-yl]-9-phenylcarbazol-4-yl]-6-[(3E)-penta-1,3-dien-3-yl]-1,3,5-triazin-2-yl]phenyl]phenyl]-5-[4-[(3E)-penta-1,3-dien-3-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole?
The InChIKey is RXPRWINNRRMWCX-JPSJTRHASA-N. The full InChI is InChI=1S/C154H98N16OS/c1-5-93(6-2)143-155-145(96-38-17-9-18-39-96)161-151(159-143)115-56-37-63-134-142(115)126-90-103(107-71-81-136-120(86-107)119-85-106(70-80-135(119)171-136)102-66-76-127-123(89-102)140-117(58-35-61-132(140)167(127)111-50-27-14-28-51-111)153-162-146(97-40-19-10-20-41-97)157-147(163-153)98-42-21-11-22-43-98)67-79-130(126)170(134)114-74-64-95(65-75-114)101-48-33-49-110(84-101)150-156-144(94(7-3)8-4)160-152(166-150)116-57-34-60-131-139(116)124-91-104(68-77-128(124)168(131)112-52-29-15-30-53-112)108-72-82-137-121(87-108)122-88-109(73-83-138(122)172-137)105-69-78-129-125(92-105)141-118(59-36-62-133(141)169(129)113-54-31-16-32-55-113)154-164-148(99-44-23-12-24-45-99)158-149(165-154)100-46-25-13-26-47-100/h5-92H,1,3H2,2,4H3/b93-6+,94-8+.
What are the key properties of 3-[8-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-3-yl]dibenzofuran-2-yl]-9-[4-[3-[4-[6-[8-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-3-yl]dibenzothiophen-2-yl]-9-phenylcarbazol-4-yl]-6-[(3E)-penta-1,3-dien-3-yl]-1,3,5-triazin-2-yl]phenyl]phenyl]-5-[4-[(3E)-penta-1,3-dien-3-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole?
3-[8-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-3-yl]dibenzofuran-2-yl]-9-[4-[3-[4-[6-[8-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-3-yl]dibenzothiophen-2-yl]-9-phenylcarbazol-4-yl]-6-[(3E)-penta-1,3-dien-3-yl]-1,3,5-triazin-2-yl]phenyl]phenyl]-5-[4-[(3E)-penta-1,3-dien-3-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole has a molecular weight of 2220.66 g/mol, XLogP of 39.27, 23 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-3-yl]dibenzofuran-2-yl]-9-[4-[3-[4-[6-[8-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-3-yl]dibenzothiophen-2-yl]-9-phenylcarbazol-4-yl]-6-[(3E)-penta-1,3-dien-3-yl]-1,3,5-triazin-2-yl]phenyl]phenyl]-5-[4-[(3E)-penta-1,3-dien-3-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole is sourced from PubChem (CID 139518251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).