4-[4-[3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]-14-[4-[6-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-1,2-dihydrocarbazol-9-yl]phenyl]-12-phenyl-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene

C137H93N7 — CID 161157830

IUPAC4-[4-[3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]-14-[4-[6-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-1,2-dihydrocarbazol-9-yl]phenyl]-12-phenyl-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene
SMILESCC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5c(n6-c6ccc(-c7nc(-c8ccccc8)nc8c7-c7ccc(-c9ccc(-n%10c%11ccc(-c%12ccc%13c(c%12)c%12ccccc%12n%13-c%12ccc%13c(c%12)C(C)(C)c%12ccccc%12-%13)cc%11c%11cc(-c%12ccc%13c(c%12)c%12ccccc%12n%13-c%12ccc%13c(c%12)C(C)(C)c%12ccccc%12-%13)ccc%11%10)cc9)c9cccc-8c79)cc6)CCC=C5)ccc43)cc21
InChIInChI=1S/C137H93N7/c1-135(2)114-36-17-10-27-95(114)98-60-57-91(77-117(98)135)142-121-40-21-14-31-102(121)109-72-84(48-66-125(109)142)83-47-65-124-108(71-83)101-30-13-20-39-120(101)140(124)90-55-45-81(46-56-90)132-131-106-64-63-94(105-34-24-35-107(130(105)106)133(131)139-134(138-132)82-25-8-7-9-26-82)80-43-53-89(54-44-80)141-128-69-51-87(85-49-67-126-110(73-85)103-32-15-22-41-122(103)143(126)92-58-61-99-96-28-11-18-37-115(96)136(3,4)118(99)78-92)75-112(128)113-76-88(52-70-129(113)141)86-50-68-127-111(74-86)104-33-16-23-42-123(104)144(127)93-59-62-100-97-29-12-19-38-116(97)137(5,6)119(100)79-93/h7-19,21-38,40-79H,20,39H2,1-6H3
InChIKeyUPNJHKBXTKYVFO-UHFFFAOYSA-N
MW1837.30 g/mol
LogP35.49
Rot. Bonds11

About 4-[4-[3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]-14-[4-[6-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-1,2-dihydrocarbazol-9-yl]phenyl]-12-phenyl-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene

4-[4-[3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]-14-[4-[6-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-1,2-dihydrocarbazol-9-yl]phenyl]-12-phenyl-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene (PubChem CID 161157830) has the molecular formula C137H93N7 and a molecular weight of 1837.30 g/mol. Its IUPAC name is 4-[4-[3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]-14-[4-[6-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-1,2-dihydrocarbazol-9-yl]phenyl]-12-phenyl-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene.

Molecular Properties

Compound Name4-[4-[3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]-14-[4-[6-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-1,2-dihydrocarbazol-9-yl]phenyl]-12-phenyl-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene
PubChem CID161157830
Molecular FormulaC137H93N7
Molecular Weight1837.30 g/mol
Exact Mass1835.75
IUPAC Name4-[4-[3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]-14-[4-[6-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-1,2-dihydrocarbazol-9-yl]phenyl]-12-phenyl-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene
SMILESCC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5c(n6-c6ccc(-c7nc(-c8ccccc8)nc8c7-c7ccc(-c9ccc(-n%10c%11ccc(-c%12ccc%13c(c%12)c%12ccccc%12n%13-c%12ccc%13c(c%12)C(C)(C)c%12ccccc%12-%13)cc%11c%11cc(-c%12ccc%13c(c%12)c%12ccccc%12n%13-c%12ccc%13c(c%12)C(C)(C)c%12ccccc%12-%13)ccc%11%10)cc9)c9cccc-8c79)cc6)CCC=C5)ccc43)cc21
InChIInChI=1S/C137H93N7/c1-135(2)114-36-17-10-27-95(114)98-60-57-91(77-117(98)135)142-121-40-21-14-31-102(121)109-72-84(48-66-125(109)142)83-47-65-124-108(71-83)101-30-13-20-39-120(101)140(124)90-55-45-81(46-56-90)132-131-106-64-63-94(105-34-24-35-107(130(105)106)133(131)139-134(138-132)82-25-8-7-9-26-82)80-43-53-89(54-44-80)141-128-69-51-87(85-49-67-126-110(73-85)103-32-15-22-41-122(103)143(126)92-58-61-99-96-28-11-18-37-115(96)136(3,4)118(99)78-92)75-112(128)113-76-88(52-70-129(113)141)86-50-68-127-111(74-86)104-33-16-23-42-123(104)144(127)93-59-62-100-97-29-12-19-38-116(97)137(5,6)119(100)79-93/h7-19,21-38,40-79H,20,39H2,1-6H3
InChIKeyUPNJHKBXTKYVFO-UHFFFAOYSA-N
XLogP35.49
TPSA50.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms144
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001837.30
LogP ≤ 535.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[4-[3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]-14-[4-[6-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-1,2-dihydrocarbazol-9-yl]phenyl]-12-phenyl-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene with MolForge

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Related Compounds

4,14-bis[4-[3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]-12-phenyl-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene;4-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenyl]-14-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenyl]-12-phenyl-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene
CID 159471694
9-(9,9-dimethylfluoren-2-yl)-3-(9-phenyl-7,8-dihydrocarbazol-3-yl)carbazole
CID 146564352
6-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9-phenyl-1,2-dihydrocarbazole
CID 67678813
5-(4-fluoranthen-3-ylphenyl)-11,11-dimethyl-3,4-dihydroindeno[1,2-b]carbazole
CID 144741117
12,14-bis(4-carbazol-9-ylphenyl)-4-phenyl-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene
CID 122466261
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[9-[3-[9-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]carbazol-4-yl]phenyl]-7,8-dihydrocarbazol-3-yl]phenyl]fluoren-2-amine
CID 170420745
3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,8-dihydrocarbazol-3-yl]-9-phenylcarbazole
CID 67950571
4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-12,14-bis[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene
CID 122466364
3-carbazol-9-yl-9-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 147106335
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(9-phenyl-7,8-dihydrocarbazol-3-yl)phenyl]fluoren-2-amine
CID 122546847
9-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-phenylcarbazole
CID 158012983
9-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]carbazole;9-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]carbazole
CID 160549549

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]-14-[4-[6-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-1,2-dihydrocarbazol-9-yl]phenyl]-12-phenyl-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene?
The IUPAC name of 4-[4-[3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]-14-[4-[6-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-1,2-dihydrocarbazol-9-yl]phenyl]-12-phenyl-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene (CID 161157830) is 4-[4-[3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]-14-[4-[6-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-1,2-dihydrocarbazol-9-yl]phenyl]-12-phenyl-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene.
What is the SMILES notation for 4-[4-[3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]-14-[4-[6-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-1,2-dihydrocarbazol-9-yl]phenyl]-12-phenyl-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene?
The canonical SMILES for 4-[4-[3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]-14-[4-[6-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-1,2-dihydrocarbazol-9-yl]phenyl]-12-phenyl-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene is CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5c(n6-c6ccc(-c7nc(-c8ccccc8)nc8c7-c7ccc(-c9ccc(-n%10c%11ccc(-c%12ccc%13c(c%12)c%12ccccc%12n%13-c%12ccc%13c(c%12)C(C)(C)c%12ccccc%12-%13)cc%11c%11cc(-c%12ccc%13c(c%12)c%12ccccc%12n%13-c%12ccc%13c(c%12)C(C)(C)c%12ccccc%12-%13)ccc%11%10)cc9)c9cccc-8c79)cc6)CCC=C5)ccc43)cc21.
What is the InChIKey of 4-[4-[3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]-14-[4-[6-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-1,2-dihydrocarbazol-9-yl]phenyl]-12-phenyl-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene?
The InChIKey is UPNJHKBXTKYVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C137H93N7/c1-135(2)114-36-17-10-27-95(114)98-60-57-91(77-117(98)135)142-121-40-21-14-31-102(121)109-72-84(48-66-125(109)142)83-47-65-124-108(71-83)101-30-13-20-39-120(101)140(124)90-55-45-81(46-56-90)132-131-106-64-63-94(105-34-24-35-107(130(105)106)133(131)139-134(138-132)82-25-8-7-9-26-82)80-43-53-89(54-44-80)141-128-69-51-87(85-49-67-126-110(73-85)103-32-15-22-41-122(103)143(126)92-58-61-99-96-28-11-18-37-115(96)136(3,4)118(99)78-92)75-112(128)113-76-88(52-70-129(113)141)86-50-68-127-111(74-86)104-33-16-23-42-123(104)144(127)93-59-62-100-97-29-12-19-38-116(97)137(5,6)119(100)79-93/h7-19,21-38,40-79H,20,39H2,1-6H3.
What are the key properties of 4-[4-[3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]-14-[4-[6-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-1,2-dihydrocarbazol-9-yl]phenyl]-12-phenyl-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene?
4-[4-[3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]-14-[4-[6-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-1,2-dihydrocarbazol-9-yl]phenyl]-12-phenyl-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene has a molecular weight of 1837.30 g/mol, XLogP of 35.49, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]-14-[4-[6-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-1,2-dihydrocarbazol-9-yl]phenyl]-12-phenyl-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene is sourced from PubChem (CID 161157830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).