4-[3-[3-[4-[3-[10-[5-(4-cyanophenyl)-2,3-bis(9,9-diphenylacridin-10-yl)phenyl]-9-phenylacridin-9-yl]phenyl]phenyl]-6-phenylcarbazol-9-yl]-5-(3,6-diphenylcarbazol-9-yl)phenyl]benzonitrile

C149H97N7 — CID 138708453

IUPAC4-[3-[3-[4-[3-[10-[5-(4-cyanophenyl)-2,3-bis(9,9-diphenylacridin-10-yl)phenyl]-9-phenylacridin-9-yl]phenyl]phenyl]-6-phenylcarbazol-9-yl]-5-(3,6-diphenylcarbazol-9-yl)phenyl]benzonitrile
SMILESN#Cc1ccc(-c2cc(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)cc(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccc(-c6cccc(C7(c8ccccc8)c8ccccc8N(c8cc(-c9ccc(C#N)cc9)cc(N9c%10ccccc%10C(c%10ccccc%10)(c%10ccccc%10)c%10ccccc%109)c8N8c9ccccc9C(c9ccccc9)(c9ccccc9)c9ccccc98)c8ccccc87)c6)cc5)ccc43)c2)cc1
InChIInChI=1S/C149H97N7/c150-98-100-68-72-107(73-69-100)114-89-122(152-134-84-80-110(102-38-9-1-10-39-102)91-124(134)125-92-111(81-85-135(125)152)103-40-11-2-12-41-103)97-123(90-114)153-136-86-82-112(104-42-13-3-14-43-104)93-126(136)127-94-113(83-87-137(127)153)106-78-76-105(77-79-106)109-44-37-55-121(88-109)149(120-53-23-8-24-54-120)130-58-27-33-64-140(130)155(141-65-34-28-59-131(141)149)145-96-115(108-74-70-101(99-151)71-75-108)95-144(154-138-62-31-25-56-128(138)147(116-45-15-4-16-46-116,117-47-17-5-18-48-117)129-57-26-32-63-139(129)154)146(145)156-142-66-35-29-60-132(142)148(118-49-19-6-20-50-118,119-51-21-7-22-52-119)133-61-30-36-67-143(133)156/h1-97H
InChIKeyNVAAJDONJKXYRR-UHFFFAOYSA-N
MW1985.46 g/mol
LogP37.79
Rot. Bonds18

About 4-[3-[3-[4-[3-[10-[5-(4-cyanophenyl)-2,3-bis(9,9-diphenylacridin-10-yl)phenyl]-9-phenylacridin-9-yl]phenyl]phenyl]-6-phenylcarbazol-9-yl]-5-(3,6-diphenylcarbazol-9-yl)phenyl]benzonitrile

4-[3-[3-[4-[3-[10-[5-(4-cyanophenyl)-2,3-bis(9,9-diphenylacridin-10-yl)phenyl]-9-phenylacridin-9-yl]phenyl]phenyl]-6-phenylcarbazol-9-yl]-5-(3,6-diphenylcarbazol-9-yl)phenyl]benzonitrile (PubChem CID 138708453) has the molecular formula C149H97N7 and a molecular weight of 1985.46 g/mol. Its IUPAC name is 4-[3-[3-[4-[3-[10-[5-(4-cyanophenyl)-2,3-bis(9,9-diphenylacridin-10-yl)phenyl]-9-phenylacridin-9-yl]phenyl]phenyl]-6-phenylcarbazol-9-yl]-5-(3,6-diphenylcarbazol-9-yl)phenyl]benzonitrile.

Molecular Properties

Compound Name4-[3-[3-[4-[3-[10-[5-(4-cyanophenyl)-2,3-bis(9,9-diphenylacridin-10-yl)phenyl]-9-phenylacridin-9-yl]phenyl]phenyl]-6-phenylcarbazol-9-yl]-5-(3,6-diphenylcarbazol-9-yl)phenyl]benzonitrile
PubChem CID138708453
Molecular FormulaC149H97N7
Molecular Weight1985.46 g/mol
Exact Mass1983.78
IUPAC Name4-[3-[3-[4-[3-[10-[5-(4-cyanophenyl)-2,3-bis(9,9-diphenylacridin-10-yl)phenyl]-9-phenylacridin-9-yl]phenyl]phenyl]-6-phenylcarbazol-9-yl]-5-(3,6-diphenylcarbazol-9-yl)phenyl]benzonitrile
SMILESN#Cc1ccc(-c2cc(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)cc(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccc(-c6cccc(C7(c8ccccc8)c8ccccc8N(c8cc(-c9ccc(C#N)cc9)cc(N9c%10ccccc%10C(c%10ccccc%10)(c%10ccccc%10)c%10ccccc%109)c8N8c9ccccc9C(c9ccccc9)(c9ccccc9)c9ccccc98)c8ccccc87)c6)cc5)ccc43)c2)cc1
InChIInChI=1S/C149H97N7/c150-98-100-68-72-107(73-69-100)114-89-122(152-134-84-80-110(102-38-9-1-10-39-102)91-124(134)125-92-111(81-85-135(125)152)103-40-11-2-12-41-103)97-123(90-114)153-136-86-82-112(104-42-13-3-14-43-104)93-126(136)127-94-113(83-87-137(127)153)106-78-76-105(77-79-106)109-44-37-55-121(88-109)149(120-53-23-8-24-54-120)130-58-27-33-64-140(130)155(141-65-34-28-59-131(141)149)145-96-115(108-74-70-101(99-151)71-75-108)95-144(154-138-62-31-25-56-128(138)147(116-45-15-4-16-46-116,117-47-17-5-18-48-117)129-57-26-32-63-139(129)154)146(145)156-142-66-35-29-60-132(142)148(118-49-19-6-20-50-118,119-51-21-7-22-52-119)133-61-30-36-67-143(133)156/h1-97H
InChIKeyNVAAJDONJKXYRR-UHFFFAOYSA-N
XLogP37.79
TPSA67.16 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms156
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001985.46
LogP ≤ 537.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[3-[3-[4-[3-[10-[5-(4-cyanophenyl)-2,3-bis(9,9-diphenylacridin-10-yl)phenyl]-9-phenylacridin-9-yl]phenyl]phenyl]-6-phenylcarbazol-9-yl]-5-(3,6-diphenylcarbazol-9-yl)phenyl]benzonitrile with MolForge

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Related Compounds

4-[3,5-bis(2,6-diphenylcarbazol-9-yl)phenyl]benzonitrile
CID 148822531
4-[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]phenyl]benzonitrile
CID 118632433
10-(4,6-diphenyl-2-pyridinyl)-9-phenyl-9-[3-(9-phenylcarbazol-3-yl)phenyl]acridine
CID 118231939
9-phenyl-9-(9-phenylcarbazol-3-yl)-10-[4-(9-phenylcarbazol-3-yl)phenyl]acridine
CID 146511276
4-[3-(4-cyanophenyl)-2,5-bis(3,6-diphenylcarbazol-9-yl)phenyl]benzonitrile
CID 138675017
3-[3-cyano-5-(9,9-diphenylacridin-10-yl)phenyl]-5-(9,9-diphenylacridin-10-yl)benzonitrile
CID 130415578
4-(9,9-diphenylacridin-10-yl)benzonitrile
CID 59470082
4-[4-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile
CID 126747004
9-[3-cyano-5-(3-phenylphenyl)phenyl]carbazole-3,6-dicarbonitrile
CID 126761640
[2-[13-[3-(4-cyanophenyl)phenyl]-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-13-yl]phenyl]-dimethylsulfanium
CID 145313660
4-[4-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile
CID 129065173
3-[9-[3-[3-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 154590619

Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-[4-[3-[10-[5-(4-cyanophenyl)-2,3-bis(9,9-diphenylacridin-10-yl)phenyl]-9-phenylacridin-9-yl]phenyl]phenyl]-6-phenylcarbazol-9-yl]-5-(3,6-diphenylcarbazol-9-yl)phenyl]benzonitrile?
The IUPAC name of 4-[3-[3-[4-[3-[10-[5-(4-cyanophenyl)-2,3-bis(9,9-diphenylacridin-10-yl)phenyl]-9-phenylacridin-9-yl]phenyl]phenyl]-6-phenylcarbazol-9-yl]-5-(3,6-diphenylcarbazol-9-yl)phenyl]benzonitrile (CID 138708453) is 4-[3-[3-[4-[3-[10-[5-(4-cyanophenyl)-2,3-bis(9,9-diphenylacridin-10-yl)phenyl]-9-phenylacridin-9-yl]phenyl]phenyl]-6-phenylcarbazol-9-yl]-5-(3,6-diphenylcarbazol-9-yl)phenyl]benzonitrile.
What is the SMILES notation for 4-[3-[3-[4-[3-[10-[5-(4-cyanophenyl)-2,3-bis(9,9-diphenylacridin-10-yl)phenyl]-9-phenylacridin-9-yl]phenyl]phenyl]-6-phenylcarbazol-9-yl]-5-(3,6-diphenylcarbazol-9-yl)phenyl]benzonitrile?
The canonical SMILES for 4-[3-[3-[4-[3-[10-[5-(4-cyanophenyl)-2,3-bis(9,9-diphenylacridin-10-yl)phenyl]-9-phenylacridin-9-yl]phenyl]phenyl]-6-phenylcarbazol-9-yl]-5-(3,6-diphenylcarbazol-9-yl)phenyl]benzonitrile is N#Cc1ccc(-c2cc(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)cc(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccc(-c6cccc(C7(c8ccccc8)c8ccccc8N(c8cc(-c9ccc(C#N)cc9)cc(N9c%10ccccc%10C(c%10ccccc%10)(c%10ccccc%10)c%10ccccc%109)c8N8c9ccccc9C(c9ccccc9)(c9ccccc9)c9ccccc98)c8ccccc87)c6)cc5)ccc43)c2)cc1.
What is the InChIKey of 4-[3-[3-[4-[3-[10-[5-(4-cyanophenyl)-2,3-bis(9,9-diphenylacridin-10-yl)phenyl]-9-phenylacridin-9-yl]phenyl]phenyl]-6-phenylcarbazol-9-yl]-5-(3,6-diphenylcarbazol-9-yl)phenyl]benzonitrile?
The InChIKey is NVAAJDONJKXYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C149H97N7/c150-98-100-68-72-107(73-69-100)114-89-122(152-134-84-80-110(102-38-9-1-10-39-102)91-124(134)125-92-111(81-85-135(125)152)103-40-11-2-12-41-103)97-123(90-114)153-136-86-82-112(104-42-13-3-14-43-104)93-126(136)127-94-113(83-87-137(127)153)106-78-76-105(77-79-106)109-44-37-55-121(88-109)149(120-53-23-8-24-54-120)130-58-27-33-64-140(130)155(141-65-34-28-59-131(141)149)145-96-115(108-74-70-101(99-151)71-75-108)95-144(154-138-62-31-25-56-128(138)147(116-45-15-4-16-46-116,117-47-17-5-18-48-117)129-57-26-32-63-139(129)154)146(145)156-142-66-35-29-60-132(142)148(118-49-19-6-20-50-118,119-51-21-7-22-52-119)133-61-30-36-67-143(133)156/h1-97H.
What are the key properties of 4-[3-[3-[4-[3-[10-[5-(4-cyanophenyl)-2,3-bis(9,9-diphenylacridin-10-yl)phenyl]-9-phenylacridin-9-yl]phenyl]phenyl]-6-phenylcarbazol-9-yl]-5-(3,6-diphenylcarbazol-9-yl)phenyl]benzonitrile?
4-[3-[3-[4-[3-[10-[5-(4-cyanophenyl)-2,3-bis(9,9-diphenylacridin-10-yl)phenyl]-9-phenylacridin-9-yl]phenyl]phenyl]-6-phenylcarbazol-9-yl]-5-(3,6-diphenylcarbazol-9-yl)phenyl]benzonitrile has a molecular weight of 1985.46 g/mol, XLogP of 37.79, 18 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3-[4-[3-[10-[5-(4-cyanophenyl)-2,3-bis(9,9-diphenylacridin-10-yl)phenyl]-9-phenylacridin-9-yl]phenyl]phenyl]-6-phenylcarbazol-9-yl]-5-(3,6-diphenylcarbazol-9-yl)phenyl]benzonitrile is sourced from PubChem (CID 138708453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).