11-[6-[9-[4-(4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-3-yl)phenyl]carbazol-2-yl]-9-phenylcarbazol-3-yl]-3-[4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene

C102H60N6 — CID 130330984

IUPAC11-[6-[9-[4-(4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-3-yl)phenyl]carbazol-2-yl]-9-phenylcarbazol-3-yl]-3-[4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene
SMILESc1ccc(-n2c3ccc(-c4ccc5c6ccccc6n(-c6ccc(-c7cc8c9c(cccc9n7)-c7ccccc7-8)cc6)c5c4)cc3c3cc(-c4cccc5c4-c4cccc6nc(-c7ccc(-n8c9ccccc9c9cc(-c%10ccc%11c%12ccccc%12n(-c%12ccccc%12)c%11c%10)ccc98)cc7)cc-5c46)ccc32)cc1
InChIInChI=1S/C102H60N6/c1-3-18-68(19-4-1)105-96-52-43-64(66-41-50-79-76-25-10-13-34-93(76)108(99(79)58-66)71-47-38-61(39-48-71)90-59-86-74-23-8-7-22-73(74)80-29-16-31-88(103-90)101(80)86)55-84(96)85-56-67(44-53-97(85)105)72-27-15-28-81-87-60-91(104-89-32-17-30-82(100(72)81)102(87)89)62-36-45-70(46-37-62)106-94-35-14-11-26-77(94)83-54-63(42-51-95(83)106)65-40-49-78-75-24-9-12-33-92(75)107(98(78)57-65)69-20-5-2-6-21-69/h1-60H
InChIKeySIKWNVWMIJYWTM-UHFFFAOYSA-N
MW1369.64 g/mol
LogP26.80
Rot. Bonds9

About 11-[6-[9-[4-(4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-3-yl)phenyl]carbazol-2-yl]-9-phenylcarbazol-3-yl]-3-[4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene

11-[6-[9-[4-(4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-3-yl)phenyl]carbazol-2-yl]-9-phenylcarbazol-3-yl]-3-[4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene (PubChem CID 130330984) has the molecular formula C102H60N6 and a molecular weight of 1369.64 g/mol. Its IUPAC name is 11-[6-[9-[4-(4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-3-yl)phenyl]carbazol-2-yl]-9-phenylcarbazol-3-yl]-3-[4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene.

Molecular Properties

Compound Name11-[6-[9-[4-(4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-3-yl)phenyl]carbazol-2-yl]-9-phenylcarbazol-3-yl]-3-[4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene
PubChem CID130330984
Molecular FormulaC102H60N6
Molecular Weight1369.64 g/mol
Exact Mass1368.49
IUPAC Name11-[6-[9-[4-(4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-3-yl)phenyl]carbazol-2-yl]-9-phenylcarbazol-3-yl]-3-[4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene
SMILESc1ccc(-n2c3ccc(-c4ccc5c6ccccc6n(-c6ccc(-c7cc8c9c(cccc9n7)-c7ccccc7-8)cc6)c5c4)cc3c3cc(-c4cccc5c4-c4cccc6nc(-c7ccc(-n8c9ccccc9c9cc(-c%10ccc%11c%12ccccc%12n(-c%12ccccc%12)c%11c%10)ccc98)cc7)cc-5c46)ccc32)cc1
InChIInChI=1S/C102H60N6/c1-3-18-68(19-4-1)105-96-52-43-64(66-41-50-79-76-25-10-13-34-93(76)108(99(79)58-66)71-47-38-61(39-48-71)90-59-86-74-23-8-7-22-73(74)80-29-16-31-88(103-90)101(80)86)55-84(96)85-56-67(44-53-97(85)105)72-27-15-28-81-87-60-91(104-89-32-17-30-82(100(72)81)102(87)89)62-36-45-70(46-37-62)106-94-35-14-11-26-77(94)83-54-63(42-51-95(83)106)65-40-49-78-75-24-9-12-33-92(75)107(98(78)57-65)69-20-5-2-6-21-69/h1-60H
InChIKeySIKWNVWMIJYWTM-UHFFFAOYSA-N
XLogP26.80
TPSA45.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms108
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001369.64
LogP ≤ 526.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 11-[6-[9-[4-(4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-3-yl)phenyl]carbazol-2-yl]-9-phenylcarbazol-3-yl]-3-[4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene with MolForge

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Related Compounds

5-[9-[4-(4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-3-yl)phenyl]carbazol-3-yl]-7-phenylbenzo[c]carbazole
CID 130326772
9-[9-[3-(3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaen-4-yl)phenyl]carbazol-3-yl]-5-phenyl-3-[3-[4-[3-(5-phenylbenzo[b]carbazol-9-yl)carbazol-9-yl]phenyl]-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaen-12-yl]benzo[b]carbazole
CID 130330919
3-(3-carbazol-9-ylcarbazol-9-yl)-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene;3-(6-carbazol-9-yl-9-phenylcarbazol-3-yl)-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene;8-[9-(2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-3-yl)carbazol-3-yl]-11-phenylbenzo[a]carbazole
CID 158182877
3-[9-(2,6-diphenyl-4-pyridinyl)carbazol-3-yl]-9-phenylcarbazole;4-[9-(2,6-diphenyl-4-pyridinyl)carbazol-4-yl]-9-phenylcarbazole
CID 158283831
2-[9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 58511300
3-[9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-2-yl]-9-phenylcarbazole;3-[9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 161437197
7-(4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-3-yl)-3-(9-phenylcarbazol-3-yl)benzo[c]carbazole
CID 130326706
1-[9-(4-carbazol-9-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;2-[9-(4-carbazol-9-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;4-[9-(4-carbazol-9-ylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 159875127
2-[3-[3-[4-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole
CID 118149380
3-phenyl-1-[3-(9-phenylcarbazol-3-yl)phenyl]benzo[f]quinoline
CID 138643715
2-[9-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 58511258
2-[9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-3-yl]-9-(4-naphthalen-1-ylphenyl)carbazole;2-[9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-3-yl]-9-phenylcarbazole;2-[9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 158322806

Frequently Asked Questions

What is the IUPAC name of 11-[6-[9-[4-(4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-3-yl)phenyl]carbazol-2-yl]-9-phenylcarbazol-3-yl]-3-[4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene?
The IUPAC name of 11-[6-[9-[4-(4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-3-yl)phenyl]carbazol-2-yl]-9-phenylcarbazol-3-yl]-3-[4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene (CID 130330984) is 11-[6-[9-[4-(4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-3-yl)phenyl]carbazol-2-yl]-9-phenylcarbazol-3-yl]-3-[4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene.
What is the SMILES notation for 11-[6-[9-[4-(4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-3-yl)phenyl]carbazol-2-yl]-9-phenylcarbazol-3-yl]-3-[4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene?
The canonical SMILES for 11-[6-[9-[4-(4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-3-yl)phenyl]carbazol-2-yl]-9-phenylcarbazol-3-yl]-3-[4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene is c1ccc(-n2c3ccc(-c4ccc5c6ccccc6n(-c6ccc(-c7cc8c9c(cccc9n7)-c7ccccc7-8)cc6)c5c4)cc3c3cc(-c4cccc5c4-c4cccc6nc(-c7ccc(-n8c9ccccc9c9cc(-c%10ccc%11c%12ccccc%12n(-c%12ccccc%12)c%11c%10)ccc98)cc7)cc-5c46)ccc32)cc1.
What is the InChIKey of 11-[6-[9-[4-(4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-3-yl)phenyl]carbazol-2-yl]-9-phenylcarbazol-3-yl]-3-[4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene?
The InChIKey is SIKWNVWMIJYWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C102H60N6/c1-3-18-68(19-4-1)105-96-52-43-64(66-41-50-79-76-25-10-13-34-93(76)108(99(79)58-66)71-47-38-61(39-48-71)90-59-86-74-23-8-7-22-73(74)80-29-16-31-88(103-90)101(80)86)55-84(96)85-56-67(44-53-97(85)105)72-27-15-28-81-87-60-91(104-89-32-17-30-82(100(72)81)102(87)89)62-36-45-70(46-37-62)106-94-35-14-11-26-77(94)83-54-63(42-51-95(83)106)65-40-49-78-75-24-9-12-33-92(75)107(98(78)57-65)69-20-5-2-6-21-69/h1-60H.
What are the key properties of 11-[6-[9-[4-(4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-3-yl)phenyl]carbazol-2-yl]-9-phenylcarbazol-3-yl]-3-[4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene?
11-[6-[9-[4-(4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-3-yl)phenyl]carbazol-2-yl]-9-phenylcarbazol-3-yl]-3-[4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene has a molecular weight of 1369.64 g/mol, XLogP of 26.80, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[6-[9-[4-(4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-3-yl)phenyl]carbazol-2-yl]-9-phenylcarbazol-3-yl]-3-[4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene is sourced from PubChem (CID 130330984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).