17,19-bis(9,9-diphenylfluoren-4-yl)-4-[9-[4-[3-[4-[19-(9,9-diphenylfluoren-4-yl)-4,11-bis(1,3-thiazol-2-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaen-17-yl]-9-phenylfluoren-9-yl]phenyl]phenyl]carbazol-3-yl]-11-(9-phenylcarbazol-3-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene

C178H106N8S4 — CID 155467406

IUPAC17,19-bis(9,9-diphenylfluoren-4-yl)-4-[9-[4-[3-[4-[19-(9,9-diphenylfluoren-4-yl)-4,11-bis(1,3-thiazol-2-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaen-17-yl]-9-phenylfluoren-9-yl]phenyl]phenyl]carbazol-3-yl]-11-(9-phenylcarbazol-3-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccc(-c8cccc(C9(c%10ccccc%10)c%10ccccc%10-c%10c(-c%11sc(-c%12cccc%13c%12-c%12ccccc%12C%13(c%12ccccc%12)c%12ccccc%12)c%12nc%13c%14cc(-c%15nccs%15)ccc%14c%14ccc(-c%15nccs%15)cc%14c%13nc%11%12)cccc%109)c8)cc7)cc6c6nc7c(-c8cccc9c8-c8ccccc8C9(c8ccccc8)c8ccccc8)sc(-c8cccc9c8-c8ccccc8C9(c8ccccc8)c8ccccc8)c7nc6c5c4)ccc32)cc1
InChIInChI=1S/C178H106N8S4/c1-9-43-115(44-10-1)175(116-45-11-2-12-46-116)145-70-31-25-62-131(145)157-135(66-38-74-149(157)175)169-165-166(170(189-169)136-67-39-75-150-158(136)132-63-26-32-71-146(132)176(150,117-47-13-3-14-48-117)118-49-15-4-16-50-118)182-162-142-104-110(83-91-126(142)125-90-82-109(103-141(125)161(162)181-165)111-86-94-155-139(101-111)129-60-29-35-78-153(129)185(155)123-58-23-8-24-59-123)112-87-95-156-140(102-112)130-61-30-36-79-154(130)186(156)124-88-80-107(81-89-124)108-42-37-57-122(100-108)178(121-55-21-7-22-56-121)148-73-34-28-65-134(148)160-138(69-41-77-152(160)178)172-168-167(183-163-143-105-113(173-179-96-98-187-173)84-92-127(143)128-93-85-114(174-180-97-99-188-174)106-144(128)164(163)184-168)171(190-172)137-68-40-76-151-159(137)133-64-27-33-72-147(133)177(151,119-51-17-5-18-52-119)120-53-19-6-20-54-120/h1-106H
InChIKeyQXEAARVPCTYBOT-UHFFFAOYSA-N
MW2485.13 g/mol
LogP46.18
Rot. Bonds19

About 17,19-bis(9,9-diphenylfluoren-4-yl)-4-[9-[4-[3-[4-[19-(9,9-diphenylfluoren-4-yl)-4,11-bis(1,3-thiazol-2-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaen-17-yl]-9-phenylfluoren-9-yl]phenyl]phenyl]carbazol-3-yl]-11-(9-phenylcarbazol-3-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene

17,19-bis(9,9-diphenylfluoren-4-yl)-4-[9-[4-[3-[4-[19-(9,9-diphenylfluoren-4-yl)-4,11-bis(1,3-thiazol-2-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaen-17-yl]-9-phenylfluoren-9-yl]phenyl]phenyl]carbazol-3-yl]-11-(9-phenylcarbazol-3-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene (PubChem CID 155467406) has the molecular formula C178H106N8S4 and a molecular weight of 2485.13 g/mol. Its IUPAC name is 17,19-bis(9,9-diphenylfluoren-4-yl)-4-[9-[4-[3-[4-[19-(9,9-diphenylfluoren-4-yl)-4,11-bis(1,3-thiazol-2-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaen-17-yl]-9-phenylfluoren-9-yl]phenyl]phenyl]carbazol-3-yl]-11-(9-phenylcarbazol-3-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene.

Molecular Properties

Compound Name17,19-bis(9,9-diphenylfluoren-4-yl)-4-[9-[4-[3-[4-[19-(9,9-diphenylfluoren-4-yl)-4,11-bis(1,3-thiazol-2-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaen-17-yl]-9-phenylfluoren-9-yl]phenyl]phenyl]carbazol-3-yl]-11-(9-phenylcarbazol-3-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene
PubChem CID155467406
Molecular FormulaC178H106N8S4
Molecular Weight2485.13 g/mol
Exact Mass2482.74
IUPAC Name17,19-bis(9,9-diphenylfluoren-4-yl)-4-[9-[4-[3-[4-[19-(9,9-diphenylfluoren-4-yl)-4,11-bis(1,3-thiazol-2-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaen-17-yl]-9-phenylfluoren-9-yl]phenyl]phenyl]carbazol-3-yl]-11-(9-phenylcarbazol-3-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccc(-c8cccc(C9(c%10ccccc%10)c%10ccccc%10-c%10c(-c%11sc(-c%12cccc%13c%12-c%12ccccc%12C%13(c%12ccccc%12)c%12ccccc%12)c%12nc%13c%14cc(-c%15nccs%15)ccc%14c%14ccc(-c%15nccs%15)cc%14c%13nc%11%12)cccc%109)c8)cc7)cc6c6nc7c(-c8cccc9c8-c8ccccc8C9(c8ccccc8)c8ccccc8)sc(-c8cccc9c8-c8ccccc8C9(c8ccccc8)c8ccccc8)c7nc6c5c4)ccc32)cc1
InChIInChI=1S/C178H106N8S4/c1-9-43-115(44-10-1)175(116-45-11-2-12-46-116)145-70-31-25-62-131(145)157-135(66-38-74-149(157)175)169-165-166(170(189-169)136-67-39-75-150-158(136)132-63-26-32-71-146(132)176(150,117-47-13-3-14-48-117)118-49-15-4-16-50-118)182-162-142-104-110(83-91-126(142)125-90-82-109(103-141(125)161(162)181-165)111-86-94-155-139(101-111)129-60-29-35-78-153(129)185(155)123-58-23-8-24-59-123)112-87-95-156-140(102-112)130-61-30-36-79-154(130)186(156)124-88-80-107(81-89-124)108-42-37-57-122(100-108)178(121-55-21-7-22-56-121)148-73-34-28-65-134(148)160-138(69-41-77-152(160)178)172-168-167(183-163-143-105-113(173-179-96-98-187-173)84-92-127(143)128-93-85-114(174-180-97-99-188-174)106-144(128)164(163)184-168)171(190-172)137-68-40-76-151-159(137)133-64-27-33-72-147(133)177(151,119-51-17-5-18-52-119)120-53-19-6-20-54-120/h1-106H
InChIKeyQXEAARVPCTYBOT-UHFFFAOYSA-N
XLogP46.18
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds19
Heavy Atoms190
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002485.13
LogP ≤ 546.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 17,19-bis(9,9-diphenylfluoren-4-yl)-4-[9-[4-[3-[4-[19-(9,9-diphenylfluoren-4-yl)-4,11-bis(1,3-thiazol-2-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaen-17-yl]-9-phenylfluoren-9-yl]phenyl]phenyl]carbazol-3-yl]-11-(9-phenylcarbazol-3-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 17,19-bis(9,9-diphenylfluoren-4-yl)-4-[9-[4-[3-[4-[19-(9,9-diphenylfluoren-4-yl)-4,11-bis(1,3-thiazol-2-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaen-17-yl]-9-phenylfluoren-9-yl]phenyl]phenyl]carbazol-3-yl]-11-(9-phenylcarbazol-3-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene?
The IUPAC name of 17,19-bis(9,9-diphenylfluoren-4-yl)-4-[9-[4-[3-[4-[19-(9,9-diphenylfluoren-4-yl)-4,11-bis(1,3-thiazol-2-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaen-17-yl]-9-phenylfluoren-9-yl]phenyl]phenyl]carbazol-3-yl]-11-(9-phenylcarbazol-3-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene (CID 155467406) is 17,19-bis(9,9-diphenylfluoren-4-yl)-4-[9-[4-[3-[4-[19-(9,9-diphenylfluoren-4-yl)-4,11-bis(1,3-thiazol-2-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaen-17-yl]-9-phenylfluoren-9-yl]phenyl]phenyl]carbazol-3-yl]-11-(9-phenylcarbazol-3-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene.
What is the SMILES notation for 17,19-bis(9,9-diphenylfluoren-4-yl)-4-[9-[4-[3-[4-[19-(9,9-diphenylfluoren-4-yl)-4,11-bis(1,3-thiazol-2-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaen-17-yl]-9-phenylfluoren-9-yl]phenyl]phenyl]carbazol-3-yl]-11-(9-phenylcarbazol-3-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene?
The canonical SMILES for 17,19-bis(9,9-diphenylfluoren-4-yl)-4-[9-[4-[3-[4-[19-(9,9-diphenylfluoren-4-yl)-4,11-bis(1,3-thiazol-2-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaen-17-yl]-9-phenylfluoren-9-yl]phenyl]phenyl]carbazol-3-yl]-11-(9-phenylcarbazol-3-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene is c1ccc(-n2c3ccccc3c3cc(-c4ccc5c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccc(-c8cccc(C9(c%10ccccc%10)c%10ccccc%10-c%10c(-c%11sc(-c%12cccc%13c%12-c%12ccccc%12C%13(c%12ccccc%12)c%12ccccc%12)c%12nc%13c%14cc(-c%15nccs%15)ccc%14c%14ccc(-c%15nccs%15)cc%14c%13nc%11%12)cccc%109)c8)cc7)cc6c6nc7c(-c8cccc9c8-c8ccccc8C9(c8ccccc8)c8ccccc8)sc(-c8cccc9c8-c8ccccc8C9(c8ccccc8)c8ccccc8)c7nc6c5c4)ccc32)cc1.
What is the InChIKey of 17,19-bis(9,9-diphenylfluoren-4-yl)-4-[9-[4-[3-[4-[19-(9,9-diphenylfluoren-4-yl)-4,11-bis(1,3-thiazol-2-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaen-17-yl]-9-phenylfluoren-9-yl]phenyl]phenyl]carbazol-3-yl]-11-(9-phenylcarbazol-3-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene?
The InChIKey is QXEAARVPCTYBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C178H106N8S4/c1-9-43-115(44-10-1)175(116-45-11-2-12-46-116)145-70-31-25-62-131(145)157-135(66-38-74-149(157)175)169-165-166(170(189-169)136-67-39-75-150-158(136)132-63-26-32-71-146(132)176(150,117-47-13-3-14-48-117)118-49-15-4-16-50-118)182-162-142-104-110(83-91-126(142)125-90-82-109(103-141(125)161(162)181-165)111-86-94-155-139(101-111)129-60-29-35-78-153(129)185(155)123-58-23-8-24-59-123)112-87-95-156-140(102-112)130-61-30-36-79-154(130)186(156)124-88-80-107(81-89-124)108-42-37-57-122(100-108)178(121-55-21-7-22-56-121)148-73-34-28-65-134(148)160-138(69-41-77-152(160)178)172-168-167(183-163-143-105-113(173-179-96-98-187-173)84-92-127(143)128-93-85-114(174-180-97-99-188-174)106-144(128)164(163)184-168)171(190-172)137-68-40-76-151-159(137)133-64-27-33-72-147(133)177(151,119-51-17-5-18-52-119)120-53-19-6-20-54-120/h1-106H.
What are the key properties of 17,19-bis(9,9-diphenylfluoren-4-yl)-4-[9-[4-[3-[4-[19-(9,9-diphenylfluoren-4-yl)-4,11-bis(1,3-thiazol-2-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaen-17-yl]-9-phenylfluoren-9-yl]phenyl]phenyl]carbazol-3-yl]-11-(9-phenylcarbazol-3-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene?
17,19-bis(9,9-diphenylfluoren-4-yl)-4-[9-[4-[3-[4-[19-(9,9-diphenylfluoren-4-yl)-4,11-bis(1,3-thiazol-2-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaen-17-yl]-9-phenylfluoren-9-yl]phenyl]phenyl]carbazol-3-yl]-11-(9-phenylcarbazol-3-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene has a molecular weight of 2485.13 g/mol, XLogP of 46.18, 19 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 17,19-bis(9,9-diphenylfluoren-4-yl)-4-[9-[4-[3-[4-[19-(9,9-diphenylfluoren-4-yl)-4,11-bis(1,3-thiazol-2-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaen-17-yl]-9-phenylfluoren-9-yl]phenyl]phenyl]carbazol-3-yl]-11-(9-phenylcarbazol-3-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene is sourced from PubChem (CID 155467406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).