9-phenyl-2-[2-[3-[4-[3-[9-phenyl-5-[3-[3-[4-[3-(9-phenylcarbazol-4-yl)carbazol-9-yl]dibenzofuran-1-yl]phenyl]phenyl]carbazol-1-yl]carbazol-9-yl]dibenzofuran-1-yl]phenyl]phenyl]-7-[9-[1-(4-phenylphenyl)dibenzofuran-4-yl]carbazol-3-yl]carbazole

C162H98N6O3 — CID 166867094

IUPAC9-phenyl-2-[2-[3-[4-[3-[9-phenyl-5-[3-[3-[4-[3-(9-phenylcarbazol-4-yl)carbazol-9-yl]dibenzofuran-1-yl]phenyl]phenyl]carbazol-1-yl]carbazol-9-yl]dibenzofuran-1-yl]phenyl]phenyl]-7-[9-[1-(4-phenylphenyl)dibenzofuran-4-yl]carbazol-3-yl]carbazole
SMILESc1ccc(-c2ccc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c8ccc(-c9ccccc9-c9cccc(-c%10ccc(-n%11c%12ccccc%12c%12cc(-c%13cccc%14c%15c(-c%16cccc(-c%17cccc(-c%18ccc(-n%19c%20ccccc%20c%20cc(-c%21cccc%22c%21c%21ccccc%21n%22-c%21ccccc%21)ccc%20%19)c%19oc%20ccccc%20c%18%19)c%17)c%16)cccc%15n(-c%15ccccc%15)c%13%14)ccc%12%11)c%11oc%12ccccc%12c%10%11)c9)cc8n(-c8ccccc8)c7c6)ccc54)c4oc5ccccc5c34)cc2)cc1
InChIInChI=1S/C162H98N6O3/c1-5-35-99(36-6-1)100-71-73-101(74-72-100)120-82-88-146(160-156(120)130-55-19-26-68-151(130)169-160)166-137-62-22-15-51-124(137)134-94-104(77-85-141(134)166)105-75-80-127-128-81-76-112(98-150(128)164(149(127)97-105)114-45-9-3-10-46-114)117-50-14-13-49-116(117)106-39-31-42-109(93-106)122-84-90-148(162-158(122)132-57-21-28-70-153(132)171-162)168-139-64-24-17-53-126(139)136-96-111(79-87-143(136)168)123-60-32-61-133-155-118(58-34-67-145(155)165(159(123)133)115-47-11-4-12-48-115)107-40-29-37-102(91-107)103-38-30-41-108(92-103)121-83-89-147(161-157(121)131-56-20-27-69-152(131)170-161)167-138-63-23-16-52-125(138)135-95-110(78-86-142(135)167)119-59-33-66-144-154(119)129-54-18-25-65-140(129)163(144)113-43-7-2-8-44-113/h1-98H
InChIKeyRMOCESLEGPRLQE-UHFFFAOYSA-N
MW2176.60 g/mol
LogP44.30
Rot. Bonds17

About 9-phenyl-2-[2-[3-[4-[3-[9-phenyl-5-[3-[3-[4-[3-(9-phenylcarbazol-4-yl)carbazol-9-yl]dibenzofuran-1-yl]phenyl]phenyl]carbazol-1-yl]carbazol-9-yl]dibenzofuran-1-yl]phenyl]phenyl]-7-[9-[1-(4-phenylphenyl)dibenzofuran-4-yl]carbazol-3-yl]carbazole

9-phenyl-2-[2-[3-[4-[3-[9-phenyl-5-[3-[3-[4-[3-(9-phenylcarbazol-4-yl)carbazol-9-yl]dibenzofuran-1-yl]phenyl]phenyl]carbazol-1-yl]carbazol-9-yl]dibenzofuran-1-yl]phenyl]phenyl]-7-[9-[1-(4-phenylphenyl)dibenzofuran-4-yl]carbazol-3-yl]carbazole (PubChem CID 166867094) has the molecular formula C162H98N6O3 and a molecular weight of 2176.60 g/mol. Its IUPAC name is 9-phenyl-2-[2-[3-[4-[3-[9-phenyl-5-[3-[3-[4-[3-(9-phenylcarbazol-4-yl)carbazol-9-yl]dibenzofuran-1-yl]phenyl]phenyl]carbazol-1-yl]carbazol-9-yl]dibenzofuran-1-yl]phenyl]phenyl]-7-[9-[1-(4-phenylphenyl)dibenzofuran-4-yl]carbazol-3-yl]carbazole.

Molecular Properties

Compound Name9-phenyl-2-[2-[3-[4-[3-[9-phenyl-5-[3-[3-[4-[3-(9-phenylcarbazol-4-yl)carbazol-9-yl]dibenzofuran-1-yl]phenyl]phenyl]carbazol-1-yl]carbazol-9-yl]dibenzofuran-1-yl]phenyl]phenyl]-7-[9-[1-(4-phenylphenyl)dibenzofuran-4-yl]carbazol-3-yl]carbazole
PubChem CID166867094
Molecular FormulaC162H98N6O3
Molecular Weight2176.60 g/mol
Exact Mass2174.77
IUPAC Name9-phenyl-2-[2-[3-[4-[3-[9-phenyl-5-[3-[3-[4-[3-(9-phenylcarbazol-4-yl)carbazol-9-yl]dibenzofuran-1-yl]phenyl]phenyl]carbazol-1-yl]carbazol-9-yl]dibenzofuran-1-yl]phenyl]phenyl]-7-[9-[1-(4-phenylphenyl)dibenzofuran-4-yl]carbazol-3-yl]carbazole
SMILESc1ccc(-c2ccc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c8ccc(-c9ccccc9-c9cccc(-c%10ccc(-n%11c%12ccccc%12c%12cc(-c%13cccc%14c%15c(-c%16cccc(-c%17cccc(-c%18ccc(-n%19c%20ccccc%20c%20cc(-c%21cccc%22c%21c%21ccccc%21n%22-c%21ccccc%21)ccc%20%19)c%19oc%20ccccc%20c%18%19)c%17)c%16)cccc%15n(-c%15ccccc%15)c%13%14)ccc%12%11)c%11oc%12ccccc%12c%10%11)c9)cc8n(-c8ccccc8)c7c6)ccc54)c4oc5ccccc5c34)cc2)cc1
InChIInChI=1S/C162H98N6O3/c1-5-35-99(36-6-1)100-71-73-101(74-72-100)120-82-88-146(160-156(120)130-55-19-26-68-151(130)169-160)166-137-62-22-15-51-124(137)134-94-104(77-85-141(134)166)105-75-80-127-128-81-76-112(98-150(128)164(149(127)97-105)114-45-9-3-10-46-114)117-50-14-13-49-116(117)106-39-31-42-109(93-106)122-84-90-148(162-158(122)132-57-21-28-70-153(132)171-162)168-139-64-24-17-53-126(139)136-96-111(79-87-143(136)168)123-60-32-61-133-155-118(58-34-67-145(155)165(159(123)133)115-47-11-4-12-48-115)107-40-29-37-102(91-107)103-38-30-41-108(92-103)121-83-89-147(161-157(121)131-56-20-27-69-152(131)170-161)167-138-63-23-16-52-125(138)135-95-110(78-86-142(135)167)119-59-33-66-144-154(119)129-54-18-25-65-140(129)163(144)113-43-7-2-8-44-113/h1-98H
InChIKeyRMOCESLEGPRLQE-UHFFFAOYSA-N
XLogP44.30
TPSA69.00 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds17
Heavy Atoms171
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002176.60
LogP ≤ 544.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 9-phenyl-2-[2-[3-[4-[3-[9-phenyl-5-[3-[3-[4-[3-(9-phenylcarbazol-4-yl)carbazol-9-yl]dibenzofuran-1-yl]phenyl]phenyl]carbazol-1-yl]carbazol-9-yl]dibenzofuran-1-yl]phenyl]phenyl]-7-[9-[1-(4-phenylphenyl)dibenzofuran-4-yl]carbazol-3-yl]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-phenyl-2-[2-[3-[4-[3-[9-phenyl-5-[3-[3-[4-[3-(9-phenylcarbazol-4-yl)carbazol-9-yl]dibenzofuran-1-yl]phenyl]phenyl]carbazol-1-yl]carbazol-9-yl]dibenzofuran-1-yl]phenyl]phenyl]-7-[9-[1-(4-phenylphenyl)dibenzofuran-4-yl]carbazol-3-yl]carbazole?
The IUPAC name of 9-phenyl-2-[2-[3-[4-[3-[9-phenyl-5-[3-[3-[4-[3-(9-phenylcarbazol-4-yl)carbazol-9-yl]dibenzofuran-1-yl]phenyl]phenyl]carbazol-1-yl]carbazol-9-yl]dibenzofuran-1-yl]phenyl]phenyl]-7-[9-[1-(4-phenylphenyl)dibenzofuran-4-yl]carbazol-3-yl]carbazole (CID 166867094) is 9-phenyl-2-[2-[3-[4-[3-[9-phenyl-5-[3-[3-[4-[3-(9-phenylcarbazol-4-yl)carbazol-9-yl]dibenzofuran-1-yl]phenyl]phenyl]carbazol-1-yl]carbazol-9-yl]dibenzofuran-1-yl]phenyl]phenyl]-7-[9-[1-(4-phenylphenyl)dibenzofuran-4-yl]carbazol-3-yl]carbazole.
What is the SMILES notation for 9-phenyl-2-[2-[3-[4-[3-[9-phenyl-5-[3-[3-[4-[3-(9-phenylcarbazol-4-yl)carbazol-9-yl]dibenzofuran-1-yl]phenyl]phenyl]carbazol-1-yl]carbazol-9-yl]dibenzofuran-1-yl]phenyl]phenyl]-7-[9-[1-(4-phenylphenyl)dibenzofuran-4-yl]carbazol-3-yl]carbazole?
The canonical SMILES for 9-phenyl-2-[2-[3-[4-[3-[9-phenyl-5-[3-[3-[4-[3-(9-phenylcarbazol-4-yl)carbazol-9-yl]dibenzofuran-1-yl]phenyl]phenyl]carbazol-1-yl]carbazol-9-yl]dibenzofuran-1-yl]phenyl]phenyl]-7-[9-[1-(4-phenylphenyl)dibenzofuran-4-yl]carbazol-3-yl]carbazole is c1ccc(-c2ccc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c8ccc(-c9ccccc9-c9cccc(-c%10ccc(-n%11c%12ccccc%12c%12cc(-c%13cccc%14c%15c(-c%16cccc(-c%17cccc(-c%18ccc(-n%19c%20ccccc%20c%20cc(-c%21cccc%22c%21c%21ccccc%21n%22-c%21ccccc%21)ccc%20%19)c%19oc%20ccccc%20c%18%19)c%17)c%16)cccc%15n(-c%15ccccc%15)c%13%14)ccc%12%11)c%11oc%12ccccc%12c%10%11)c9)cc8n(-c8ccccc8)c7c6)ccc54)c4oc5ccccc5c34)cc2)cc1.
What is the InChIKey of 9-phenyl-2-[2-[3-[4-[3-[9-phenyl-5-[3-[3-[4-[3-(9-phenylcarbazol-4-yl)carbazol-9-yl]dibenzofuran-1-yl]phenyl]phenyl]carbazol-1-yl]carbazol-9-yl]dibenzofuran-1-yl]phenyl]phenyl]-7-[9-[1-(4-phenylphenyl)dibenzofuran-4-yl]carbazol-3-yl]carbazole?
The InChIKey is RMOCESLEGPRLQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C162H98N6O3/c1-5-35-99(36-6-1)100-71-73-101(74-72-100)120-82-88-146(160-156(120)130-55-19-26-68-151(130)169-160)166-137-62-22-15-51-124(137)134-94-104(77-85-141(134)166)105-75-80-127-128-81-76-112(98-150(128)164(149(127)97-105)114-45-9-3-10-46-114)117-50-14-13-49-116(117)106-39-31-42-109(93-106)122-84-90-148(162-158(122)132-57-21-28-70-153(132)171-162)168-139-64-24-17-53-126(139)136-96-111(79-87-143(136)168)123-60-32-61-133-155-118(58-34-67-145(155)165(159(123)133)115-47-11-4-12-48-115)107-40-29-37-102(91-107)103-38-30-41-108(92-103)121-83-89-147(161-157(121)131-56-20-27-69-152(131)170-161)167-138-63-23-16-52-125(138)135-95-110(78-86-142(135)167)119-59-33-66-144-154(119)129-54-18-25-65-140(129)163(144)113-43-7-2-8-44-113/h1-98H.
What are the key properties of 9-phenyl-2-[2-[3-[4-[3-[9-phenyl-5-[3-[3-[4-[3-(9-phenylcarbazol-4-yl)carbazol-9-yl]dibenzofuran-1-yl]phenyl]phenyl]carbazol-1-yl]carbazol-9-yl]dibenzofuran-1-yl]phenyl]phenyl]-7-[9-[1-(4-phenylphenyl)dibenzofuran-4-yl]carbazol-3-yl]carbazole?
9-phenyl-2-[2-[3-[4-[3-[9-phenyl-5-[3-[3-[4-[3-(9-phenylcarbazol-4-yl)carbazol-9-yl]dibenzofuran-1-yl]phenyl]phenyl]carbazol-1-yl]carbazol-9-yl]dibenzofuran-1-yl]phenyl]phenyl]-7-[9-[1-(4-phenylphenyl)dibenzofuran-4-yl]carbazol-3-yl]carbazole has a molecular weight of 2176.60 g/mol, XLogP of 44.30, 17 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-2-[2-[3-[4-[3-[9-phenyl-5-[3-[3-[4-[3-(9-phenylcarbazol-4-yl)carbazol-9-yl]dibenzofuran-1-yl]phenyl]phenyl]carbazol-1-yl]carbazol-9-yl]dibenzofuran-1-yl]phenyl]phenyl]-7-[9-[1-(4-phenylphenyl)dibenzofuran-4-yl]carbazol-3-yl]carbazole is sourced from PubChem (CID 166867094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).