2-[9-[9-[5-[4-(3-carbazol-9-yl-7,7-dimethylindeno[2,1-b]carbazol-5-yl)-2,5-dicyanophenyl]-7,7-dimethylindeno[2,1-b]carbazol-3-yl]carbazol-4-yl]-7,7-dimethyl-1-(N-phenylanilino)indeno[2,1-b]carbazol-5-yl]-5-[7,7-dimethyl-1-(N-phenylanilino)indeno[2,1-b]carbazol-5-yl]benzene-1,4-dicarbonitrile

C148H98N12 — CID 155451089

IUPAC2-[9-[9-[5-[4-(3-carbazol-9-yl-7,7-dimethylindeno[2,1-b]carbazol-5-yl)-2,5-dicyanophenyl]-7,7-dimethylindeno[2,1-b]carbazol-3-yl]carbazol-4-yl]-7,7-dimethyl-1-(N-phenylanilino)indeno[2,1-b]carbazol-5-yl]-5-[7,7-dimethyl-1-(N-phenylanilino)indeno[2,1-b]carbazol-5-yl]benzene-1,4-dicarbonitrile
SMILESCC1(C)c2ccccc2-c2cc3c4ccc(-n5c6ccccc6c6ccccc65)cc4n(-c4cc(C#N)c(-n5c6cc(-n7c8ccccc8c8c(-c9ccc%10c(c9)C(C)(C)c9cc%11c(cc9-%10)c9c(N(c%10ccccc%10)c%10ccccc%10)cccc9n%11-c9cc(C#N)c(-n%10c%11cc%12c(cc%11c%11c(N(c%13ccccc%13)c%13ccccc%13)cccc%11%10)-c%10ccccc%10C%12(C)C)cc9C#N)cccc87)ccc6c6cc7c(cc65)C(C)(C)c5ccccc5-7)cc4C#N)c3cc21
InChIInChI=1S/C148H98N12/c1-145(2)116-51-27-21-44-99(116)108-75-112-105-66-63-96(155-124-54-30-24-47-103(124)104-48-25-31-55-125(104)155)73-136(105)159(138(112)79-120(108)145)134-71-91(86-152)135(72-90(134)85-151)160-137-74-97(64-67-106(137)113-76-109-100-45-22-28-52-117(100)146(3,4)121(109)80-139(113)160)156-126-56-32-26-49-107(126)142-98(50-33-57-127(142)156)87-62-65-102-111-78-115-141(82-123(111)148(7,8)119(102)68-87)158(131-61-35-59-129(144(115)131)154(94-40-17-11-18-41-94)95-42-19-12-20-43-95)133-70-88(83-149)132(69-89(133)84-150)157-130-60-34-58-128(153(92-36-13-9-14-37-92)93-38-15-10-16-39-93)143(130)114-77-110-101-46-23-29-53-118(101)147(5,6)122(110)81-140(114)157/h9-82H,1-8H3
InChIKeyWKHYFFIAPOSSKN-UHFFFAOYSA-N
MW2044.50 g/mol
LogP37.59
Rot. Bonds13

About 2-[9-[9-[5-[4-(3-carbazol-9-yl-7,7-dimethylindeno[2,1-b]carbazol-5-yl)-2,5-dicyanophenyl]-7,7-dimethylindeno[2,1-b]carbazol-3-yl]carbazol-4-yl]-7,7-dimethyl-1-(N-phenylanilino)indeno[2,1-b]carbazol-5-yl]-5-[7,7-dimethyl-1-(N-phenylanilino)indeno[2,1-b]carbazol-5-yl]benzene-1,4-dicarbonitrile

2-[9-[9-[5-[4-(3-carbazol-9-yl-7,7-dimethylindeno[2,1-b]carbazol-5-yl)-2,5-dicyanophenyl]-7,7-dimethylindeno[2,1-b]carbazol-3-yl]carbazol-4-yl]-7,7-dimethyl-1-(N-phenylanilino)indeno[2,1-b]carbazol-5-yl]-5-[7,7-dimethyl-1-(N-phenylanilino)indeno[2,1-b]carbazol-5-yl]benzene-1,4-dicarbonitrile (PubChem CID 155451089) has the molecular formula C148H98N12 and a molecular weight of 2044.50 g/mol. Its IUPAC name is 2-[9-[9-[5-[4-(3-carbazol-9-yl-7,7-dimethylindeno[2,1-b]carbazol-5-yl)-2,5-dicyanophenyl]-7,7-dimethylindeno[2,1-b]carbazol-3-yl]carbazol-4-yl]-7,7-dimethyl-1-(N-phenylanilino)indeno[2,1-b]carbazol-5-yl]-5-[7,7-dimethyl-1-(N-phenylanilino)indeno[2,1-b]carbazol-5-yl]benzene-1,4-dicarbonitrile.

Molecular Properties

Compound Name2-[9-[9-[5-[4-(3-carbazol-9-yl-7,7-dimethylindeno[2,1-b]carbazol-5-yl)-2,5-dicyanophenyl]-7,7-dimethylindeno[2,1-b]carbazol-3-yl]carbazol-4-yl]-7,7-dimethyl-1-(N-phenylanilino)indeno[2,1-b]carbazol-5-yl]-5-[7,7-dimethyl-1-(N-phenylanilino)indeno[2,1-b]carbazol-5-yl]benzene-1,4-dicarbonitrile
PubChem CID155451089
Molecular FormulaC148H98N12
Molecular Weight2044.50 g/mol
Exact Mass2042.80
IUPAC Name2-[9-[9-[5-[4-(3-carbazol-9-yl-7,7-dimethylindeno[2,1-b]carbazol-5-yl)-2,5-dicyanophenyl]-7,7-dimethylindeno[2,1-b]carbazol-3-yl]carbazol-4-yl]-7,7-dimethyl-1-(N-phenylanilino)indeno[2,1-b]carbazol-5-yl]-5-[7,7-dimethyl-1-(N-phenylanilino)indeno[2,1-b]carbazol-5-yl]benzene-1,4-dicarbonitrile
SMILESCC1(C)c2ccccc2-c2cc3c4ccc(-n5c6ccccc6c6ccccc65)cc4n(-c4cc(C#N)c(-n5c6cc(-n7c8ccccc8c8c(-c9ccc%10c(c9)C(C)(C)c9cc%11c(cc9-%10)c9c(N(c%10ccccc%10)c%10ccccc%10)cccc9n%11-c9cc(C#N)c(-n%10c%11cc%12c(cc%11c%11c(N(c%13ccccc%13)c%13ccccc%13)cccc%11%10)-c%10ccccc%10C%12(C)C)cc9C#N)cccc87)ccc6c6cc7c(cc65)C(C)(C)c5ccccc5-7)cc4C#N)c3cc21
InChIInChI=1S/C148H98N12/c1-145(2)116-51-27-21-44-99(116)108-75-112-105-66-63-96(155-124-54-30-24-47-103(124)104-48-25-31-55-125(104)155)73-136(105)159(138(112)79-120(108)145)134-71-91(86-152)135(72-90(134)85-151)160-137-74-97(64-67-106(137)113-76-109-100-45-22-28-52-117(100)146(3,4)121(109)80-139(113)160)156-126-56-32-26-49-107(126)142-98(50-33-57-127(142)156)87-62-65-102-111-78-115-141(82-123(111)148(7,8)119(102)68-87)158(131-61-35-59-129(144(115)131)154(94-40-17-11-18-41-94)95-42-19-12-20-43-95)133-70-88(83-149)132(69-89(133)84-150)157-130-60-34-58-128(153(92-36-13-9-14-37-92)93-38-15-10-16-39-93)143(130)114-77-110-101-46-23-29-53-118(101)147(5,6)122(110)81-140(114)157/h9-82H,1-8H3
InChIKeyWKHYFFIAPOSSKN-UHFFFAOYSA-N
XLogP37.59
TPSA131.22 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds13
Heavy Atoms160
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002044.50
LogP ≤ 537.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 2-[9-[9-[5-[4-(3-carbazol-9-yl-7,7-dimethylindeno[2,1-b]carbazol-5-yl)-2,5-dicyanophenyl]-7,7-dimethylindeno[2,1-b]carbazol-3-yl]carbazol-4-yl]-7,7-dimethyl-1-(N-phenylanilino)indeno[2,1-b]carbazol-5-yl]-5-[7,7-dimethyl-1-(N-phenylanilino)indeno[2,1-b]carbazol-5-yl]benzene-1,4-dicarbonitrile with MolForge

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Related Compounds

2-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-5-[7,7-dimethyl-2-(N-phenylanilino)indeno[2,1-b]carbazol-5-yl]benzene-1,4-dicarbonitrile
CID 121329269
2-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-4-yl]phenyl]-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 166660654
9,9-dimethyl-N-naphthalen-1-yl-N-[4-[2-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]fluoren-2-amine
CID 144831028
2,5-bis[7,7-dimethyl-2-(9-phenylcarbazol-2-yl)indeno[2,1-b]carbazol-5-yl]benzene-1,4-dicarbonitrile
CID 121328601
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-4-yl]-N,N-bis(4-phenylphenyl)aniline
CID 166660351
2-carbazol-9-yl-5-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)benzene-1,4-dicarbonitrile
CID 121328841
4-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]-5-(9-phenylcarbazol-4-yl)phenyl]-N,N-diphenylaniline
CID 118289325
9-(9,9-dimethylfluoren-2-yl)-N-phenyl-N-triphenylen-1-ylcarbazol-2-amine
CID 135129010
2-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170304323
9,9-dimethyl-N-naphthalen-2-yl-N-[4-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]fluoren-2-amine
CID 118034735
9-(9,9-dimethylfluoren-3-yl)-N-(9-phenylcarbazol-4-yl)-N-(3-phenylphenyl)carbazol-2-amine
CID 170286776
N-(11,11-dimethylbenzo[b]fluoren-8-yl)-N,9-diphenylcarbazol-4-amine
CID 156554164

Frequently Asked Questions

What is the IUPAC name of 2-[9-[9-[5-[4-(3-carbazol-9-yl-7,7-dimethylindeno[2,1-b]carbazol-5-yl)-2,5-dicyanophenyl]-7,7-dimethylindeno[2,1-b]carbazol-3-yl]carbazol-4-yl]-7,7-dimethyl-1-(N-phenylanilino)indeno[2,1-b]carbazol-5-yl]-5-[7,7-dimethyl-1-(N-phenylanilino)indeno[2,1-b]carbazol-5-yl]benzene-1,4-dicarbonitrile?
The IUPAC name of 2-[9-[9-[5-[4-(3-carbazol-9-yl-7,7-dimethylindeno[2,1-b]carbazol-5-yl)-2,5-dicyanophenyl]-7,7-dimethylindeno[2,1-b]carbazol-3-yl]carbazol-4-yl]-7,7-dimethyl-1-(N-phenylanilino)indeno[2,1-b]carbazol-5-yl]-5-[7,7-dimethyl-1-(N-phenylanilino)indeno[2,1-b]carbazol-5-yl]benzene-1,4-dicarbonitrile (CID 155451089) is 2-[9-[9-[5-[4-(3-carbazol-9-yl-7,7-dimethylindeno[2,1-b]carbazol-5-yl)-2,5-dicyanophenyl]-7,7-dimethylindeno[2,1-b]carbazol-3-yl]carbazol-4-yl]-7,7-dimethyl-1-(N-phenylanilino)indeno[2,1-b]carbazol-5-yl]-5-[7,7-dimethyl-1-(N-phenylanilino)indeno[2,1-b]carbazol-5-yl]benzene-1,4-dicarbonitrile.
What is the SMILES notation for 2-[9-[9-[5-[4-(3-carbazol-9-yl-7,7-dimethylindeno[2,1-b]carbazol-5-yl)-2,5-dicyanophenyl]-7,7-dimethylindeno[2,1-b]carbazol-3-yl]carbazol-4-yl]-7,7-dimethyl-1-(N-phenylanilino)indeno[2,1-b]carbazol-5-yl]-5-[7,7-dimethyl-1-(N-phenylanilino)indeno[2,1-b]carbazol-5-yl]benzene-1,4-dicarbonitrile?
The canonical SMILES for 2-[9-[9-[5-[4-(3-carbazol-9-yl-7,7-dimethylindeno[2,1-b]carbazol-5-yl)-2,5-dicyanophenyl]-7,7-dimethylindeno[2,1-b]carbazol-3-yl]carbazol-4-yl]-7,7-dimethyl-1-(N-phenylanilino)indeno[2,1-b]carbazol-5-yl]-5-[7,7-dimethyl-1-(N-phenylanilino)indeno[2,1-b]carbazol-5-yl]benzene-1,4-dicarbonitrile is CC1(C)c2ccccc2-c2cc3c4ccc(-n5c6ccccc6c6ccccc65)cc4n(-c4cc(C#N)c(-n5c6cc(-n7c8ccccc8c8c(-c9ccc%10c(c9)C(C)(C)c9cc%11c(cc9-%10)c9c(N(c%10ccccc%10)c%10ccccc%10)cccc9n%11-c9cc(C#N)c(-n%10c%11cc%12c(cc%11c%11c(N(c%13ccccc%13)c%13ccccc%13)cccc%11%10)-c%10ccccc%10C%12(C)C)cc9C#N)cccc87)ccc6c6cc7c(cc65)C(C)(C)c5ccccc5-7)cc4C#N)c3cc21.
What is the InChIKey of 2-[9-[9-[5-[4-(3-carbazol-9-yl-7,7-dimethylindeno[2,1-b]carbazol-5-yl)-2,5-dicyanophenyl]-7,7-dimethylindeno[2,1-b]carbazol-3-yl]carbazol-4-yl]-7,7-dimethyl-1-(N-phenylanilino)indeno[2,1-b]carbazol-5-yl]-5-[7,7-dimethyl-1-(N-phenylanilino)indeno[2,1-b]carbazol-5-yl]benzene-1,4-dicarbonitrile?
The InChIKey is WKHYFFIAPOSSKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C148H98N12/c1-145(2)116-51-27-21-44-99(116)108-75-112-105-66-63-96(155-124-54-30-24-47-103(124)104-48-25-31-55-125(104)155)73-136(105)159(138(112)79-120(108)145)134-71-91(86-152)135(72-90(134)85-151)160-137-74-97(64-67-106(137)113-76-109-100-45-22-28-52-117(100)146(3,4)121(109)80-139(113)160)156-126-56-32-26-49-107(126)142-98(50-33-57-127(142)156)87-62-65-102-111-78-115-141(82-123(111)148(7,8)119(102)68-87)158(131-61-35-59-129(144(115)131)154(94-40-17-11-18-41-94)95-42-19-12-20-43-95)133-70-88(83-149)132(69-89(133)84-150)157-130-60-34-58-128(153(92-36-13-9-14-37-92)93-38-15-10-16-39-93)143(130)114-77-110-101-46-23-29-53-118(101)147(5,6)122(110)81-140(114)157/h9-82H,1-8H3.
What are the key properties of 2-[9-[9-[5-[4-(3-carbazol-9-yl-7,7-dimethylindeno[2,1-b]carbazol-5-yl)-2,5-dicyanophenyl]-7,7-dimethylindeno[2,1-b]carbazol-3-yl]carbazol-4-yl]-7,7-dimethyl-1-(N-phenylanilino)indeno[2,1-b]carbazol-5-yl]-5-[7,7-dimethyl-1-(N-phenylanilino)indeno[2,1-b]carbazol-5-yl]benzene-1,4-dicarbonitrile?
2-[9-[9-[5-[4-(3-carbazol-9-yl-7,7-dimethylindeno[2,1-b]carbazol-5-yl)-2,5-dicyanophenyl]-7,7-dimethylindeno[2,1-b]carbazol-3-yl]carbazol-4-yl]-7,7-dimethyl-1-(N-phenylanilino)indeno[2,1-b]carbazol-5-yl]-5-[7,7-dimethyl-1-(N-phenylanilino)indeno[2,1-b]carbazol-5-yl]benzene-1,4-dicarbonitrile has a molecular weight of 2044.50 g/mol, XLogP of 37.59, 13 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-[9-[5-[4-(3-carbazol-9-yl-7,7-dimethylindeno[2,1-b]carbazol-5-yl)-2,5-dicyanophenyl]-7,7-dimethylindeno[2,1-b]carbazol-3-yl]carbazol-4-yl]-7,7-dimethyl-1-(N-phenylanilino)indeno[2,1-b]carbazol-5-yl]-5-[7,7-dimethyl-1-(N-phenylanilino)indeno[2,1-b]carbazol-5-yl]benzene-1,4-dicarbonitrile is sourced from PubChem (CID 155451089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).