2,3,5-tris(3,6-diphenylcarbazol-9-yl)-6-[3-[4-(9'-oxo-10-phenylspiro[acridine-9,10'-anthracene]-2'-yl)phenyl]-6-phenylcarbazol-9-yl]benzene-1,4-dicarbonitrile

C136H83N7O — CID 174302221

IUPAC2,3,5-tris(3,6-diphenylcarbazol-9-yl)-6-[3-[4-(9'-oxo-10-phenylspiro[acridine-9,10'-anthracene]-2'-yl)phenyl]-6-phenylcarbazol-9-yl]benzene-1,4-dicarbonitrile
SMILESN#Cc1c(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c(C#N)c(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccc(-c5ccc6c(c5)C(=O)c5ccccc5C65c6ccccc6N(c6ccccc6)c6ccccc65)cc4)ccc32)c1-n1c2ccc(-c3ccccc3)cc2c2cc(-c3ccccc3)ccc21
InChIInChI=1S/C136H83N7O/c137-84-115-131(140-121-67-58-96(86-31-9-1-10-32-86)75-106(121)107-76-97(59-68-122(107)140)87-33-11-2-12-34-87)132(141-123-69-60-98(88-35-13-3-14-36-88)77-108(123)109-78-99(61-70-124(109)141)89-37-15-4-16-38-89)116(85-138)134(133(115)142-125-71-62-100(90-39-17-5-18-40-90)79-110(125)111-80-101(63-72-126(111)142)91-41-19-6-20-42-91)143-127-73-64-102(92-43-21-7-22-44-92)81-112(127)113-82-103(65-74-128(113)143)94-55-53-93(54-56-94)95-57-66-118-114(83-95)135(144)105-47-25-26-48-117(105)136(118)119-49-27-29-51-129(119)139(104-45-23-8-24-46-104)130-52-30-28-50-120(130)136/h1-83H
InChIKeyDVXNEUJJUKQUFO-UHFFFAOYSA-N
MW1831.21 g/mol
LogP34.53
Rot. Bonds14

About 2,3,5-tris(3,6-diphenylcarbazol-9-yl)-6-[3-[4-(9'-oxo-10-phenylspiro[acridine-9,10'-anthracene]-2'-yl)phenyl]-6-phenylcarbazol-9-yl]benzene-1,4-dicarbonitrile

2,3,5-tris(3,6-diphenylcarbazol-9-yl)-6-[3-[4-(9'-oxo-10-phenylspiro[acridine-9,10'-anthracene]-2'-yl)phenyl]-6-phenylcarbazol-9-yl]benzene-1,4-dicarbonitrile (PubChem CID 174302221) has the molecular formula C136H83N7O and a molecular weight of 1831.21 g/mol. Its IUPAC name is 2,3,5-tris(3,6-diphenylcarbazol-9-yl)-6-[3-[4-(9'-oxo-10-phenylspiro[acridine-9,10'-anthracene]-2'-yl)phenyl]-6-phenylcarbazol-9-yl]benzene-1,4-dicarbonitrile.

Molecular Properties

Compound Name2,3,5-tris(3,6-diphenylcarbazol-9-yl)-6-[3-[4-(9'-oxo-10-phenylspiro[acridine-9,10'-anthracene]-2'-yl)phenyl]-6-phenylcarbazol-9-yl]benzene-1,4-dicarbonitrile
PubChem CID174302221
Molecular FormulaC136H83N7O
Molecular Weight1831.21 g/mol
Exact Mass1829.67
IUPAC Name2,3,5-tris(3,6-diphenylcarbazol-9-yl)-6-[3-[4-(9'-oxo-10-phenylspiro[acridine-9,10'-anthracene]-2'-yl)phenyl]-6-phenylcarbazol-9-yl]benzene-1,4-dicarbonitrile
SMILESN#Cc1c(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c(C#N)c(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccc(-c5ccc6c(c5)C(=O)c5ccccc5C65c6ccccc6N(c6ccccc6)c6ccccc65)cc4)ccc32)c1-n1c2ccc(-c3ccccc3)cc2c2cc(-c3ccccc3)ccc21
InChIInChI=1S/C136H83N7O/c137-84-115-131(140-121-67-58-96(86-31-9-1-10-32-86)75-106(121)107-76-97(59-68-122(107)140)87-33-11-2-12-34-87)132(141-123-69-60-98(88-35-13-3-14-36-88)77-108(123)109-78-99(61-70-124(109)141)89-37-15-4-16-38-89)116(85-138)134(133(115)142-125-71-62-100(90-39-17-5-18-40-90)79-110(125)111-80-101(63-72-126(111)142)91-41-19-6-20-42-91)143-127-73-64-102(92-43-21-7-22-44-92)81-112(127)113-82-103(65-74-128(113)143)94-55-53-93(54-56-94)95-57-66-118-114(83-95)135(144)105-47-25-26-48-117(105)136(118)119-49-27-29-51-129(119)139(104-45-23-8-24-46-104)130-52-30-28-50-120(130)136/h1-83H
InChIKeyDVXNEUJJUKQUFO-UHFFFAOYSA-N
XLogP34.53
TPSA87.61 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms144
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001831.21
LogP ≤ 534.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2,3,5-tris(3,6-diphenylcarbazol-9-yl)-6-[3-[4-(9'-oxo-10-phenylspiro[acridine-9,10'-anthracene]-2'-yl)phenyl]-6-phenylcarbazol-9-yl]benzene-1,4-dicarbonitrile with MolForge

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Related Compounds

10-phenyl-3'-[9-(4-phenylphenyl)carbazol-3-yl]spiro[acridine-9,9'-fluorene]
CID 163947918
2,3,5,6-tetrakis(3-phenylcarbazol-9-yl)-4-spiro[fluorene-9,5'-indeno[1,2-b]pyridine]-2'-ylbenzonitrile
CID 139507224
4-(2-carbazol-9-ylphenyl)-2,3,5,6-tetrakis(3-phenylcarbazol-9-yl)benzonitrile
CID 139507138
4-carbazol-9-yl-3,5-bis(9,9-dimethyl-10-phenylacridin-3-yl)-2,6-diphenylbenzonitrile
CID 137368773
3'-[3-(4-methylphenyl)phenyl]-10-phenylspiro[acridine-9,9'-fluorene];toluene
CID 145334426
2,3,5,6-tetrakis(3-phenylcarbazol-9-yl)-4-spiro[fluorene-9,9'-indeno[2,1-b]pyridine]-3'-ylbenzonitrile
CID 139507190
2,3,5,6-tetrakis(3-phenylcarbazol-9-yl)-4-spiro[fluorene-9,5'-indeno[1,2-c]pyridine]-1'-ylbenzonitrile
CID 139507209
2,5-bis(3,6-dimethylcarbazol-9-yl)-3,6-bis(3,6-diphenylcarbazol-9-yl)benzene-1,4-dicarbonitrile
CID 154601716
2,5-di(carbazol-9-yl)-4,6-bis(3,6-diphenylcarbazol-9-yl)benzene-1,3-dicarbonitrile
CID 167015442
10,10-dimethyl-3-[3-[9-phenyl-6-(10-phenylphenazin-5-yl)carbazol-3-yl]phenyl]anthracen-9-one
CID 142288659
3-[4-[3-(6,9-diphenylcarbazol-3-yl)-9,9-dimethylacridin-10-yl]naphthalen-1-yl]-10,10-dimethylanthracen-9-one
CID 142288106
7-[4-(10',19-diphenylspiro[11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene-15,9'-acridine]-11-yl)phenyl]-10'-phenyl-11-[3-(4-phenylphenyl)phenyl]-19-[4-(4-phenylphenyl)phenyl]spiro[11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5(10),6,8,12,17,20,22,24,26-dodecaene-15,9'-acridine]
CID 139524634

Frequently Asked Questions

What is the IUPAC name of 2,3,5-tris(3,6-diphenylcarbazol-9-yl)-6-[3-[4-(9'-oxo-10-phenylspiro[acridine-9,10'-anthracene]-2'-yl)phenyl]-6-phenylcarbazol-9-yl]benzene-1,4-dicarbonitrile?
The IUPAC name of 2,3,5-tris(3,6-diphenylcarbazol-9-yl)-6-[3-[4-(9'-oxo-10-phenylspiro[acridine-9,10'-anthracene]-2'-yl)phenyl]-6-phenylcarbazol-9-yl]benzene-1,4-dicarbonitrile (CID 174302221) is 2,3,5-tris(3,6-diphenylcarbazol-9-yl)-6-[3-[4-(9'-oxo-10-phenylspiro[acridine-9,10'-anthracene]-2'-yl)phenyl]-6-phenylcarbazol-9-yl]benzene-1,4-dicarbonitrile.
What is the SMILES notation for 2,3,5-tris(3,6-diphenylcarbazol-9-yl)-6-[3-[4-(9'-oxo-10-phenylspiro[acridine-9,10'-anthracene]-2'-yl)phenyl]-6-phenylcarbazol-9-yl]benzene-1,4-dicarbonitrile?
The canonical SMILES for 2,3,5-tris(3,6-diphenylcarbazol-9-yl)-6-[3-[4-(9'-oxo-10-phenylspiro[acridine-9,10'-anthracene]-2'-yl)phenyl]-6-phenylcarbazol-9-yl]benzene-1,4-dicarbonitrile is N#Cc1c(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c(C#N)c(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccc(-c5ccc6c(c5)C(=O)c5ccccc5C65c6ccccc6N(c6ccccc6)c6ccccc65)cc4)ccc32)c1-n1c2ccc(-c3ccccc3)cc2c2cc(-c3ccccc3)ccc21.
What is the InChIKey of 2,3,5-tris(3,6-diphenylcarbazol-9-yl)-6-[3-[4-(9'-oxo-10-phenylspiro[acridine-9,10'-anthracene]-2'-yl)phenyl]-6-phenylcarbazol-9-yl]benzene-1,4-dicarbonitrile?
The InChIKey is DVXNEUJJUKQUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C136H83N7O/c137-84-115-131(140-121-67-58-96(86-31-9-1-10-32-86)75-106(121)107-76-97(59-68-122(107)140)87-33-11-2-12-34-87)132(141-123-69-60-98(88-35-13-3-14-36-88)77-108(123)109-78-99(61-70-124(109)141)89-37-15-4-16-38-89)116(85-138)134(133(115)142-125-71-62-100(90-39-17-5-18-40-90)79-110(125)111-80-101(63-72-126(111)142)91-41-19-6-20-42-91)143-127-73-64-102(92-43-21-7-22-44-92)81-112(127)113-82-103(65-74-128(113)143)94-55-53-93(54-56-94)95-57-66-118-114(83-95)135(144)105-47-25-26-48-117(105)136(118)119-49-27-29-51-129(119)139(104-45-23-8-24-46-104)130-52-30-28-50-120(130)136/h1-83H.
What are the key properties of 2,3,5-tris(3,6-diphenylcarbazol-9-yl)-6-[3-[4-(9'-oxo-10-phenylspiro[acridine-9,10'-anthracene]-2'-yl)phenyl]-6-phenylcarbazol-9-yl]benzene-1,4-dicarbonitrile?
2,3,5-tris(3,6-diphenylcarbazol-9-yl)-6-[3-[4-(9'-oxo-10-phenylspiro[acridine-9,10'-anthracene]-2'-yl)phenyl]-6-phenylcarbazol-9-yl]benzene-1,4-dicarbonitrile has a molecular weight of 1831.21 g/mol, XLogP of 34.53, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-tris(3,6-diphenylcarbazol-9-yl)-6-[3-[4-(9'-oxo-10-phenylspiro[acridine-9,10'-anthracene]-2'-yl)phenyl]-6-phenylcarbazol-9-yl]benzene-1,4-dicarbonitrile is sourced from PubChem (CID 174302221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).