3-[9,10-bis(4-methylphenyl)-10-(9-phenylcarbazol-3-yl)-2-(2H-tetrazol-5-yl)anthracen-9-yl]-9-phenylcarbazole

C65H46N6 — CID 122205735

IUPAC3-[9,10-bis(4-methylphenyl)-10-(9-phenylcarbazol-3-yl)-2-(2H-tetrazol-5-yl)anthracen-9-yl]-9-phenylcarbazole
SMILESCc1ccc(C2(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3ccccc3C(c3ccc(C)cc3)(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3cc(-c4nn[nH]n4)ccc32)cc1
InChIInChI=1S/C65H46N6/c1-42-25-30-45(31-26-42)64(47-34-37-61-53(40-47)51-19-9-13-23-59(51)70(61)49-15-5-3-6-16-49)55-21-11-12-22-56(55)65(46-32-27-43(2)28-33-46,58-39-44(29-36-57(58)64)63-66-68-69-67-63)48-35-38-62-54(41-48)52-20-10-14-24-60(52)71(62)50-17-7-4-8-18-50/h3-41H,1-2H3,(H,66,67,68,69)
InChIKeyOETSDKOUUUXSLO-UHFFFAOYSA-N
MW911.13 g/mol
LogP14.76
Rot. Bonds7

About 3-[9,10-bis(4-methylphenyl)-10-(9-phenylcarbazol-3-yl)-2-(2H-tetrazol-5-yl)anthracen-9-yl]-9-phenylcarbazole

3-[9,10-bis(4-methylphenyl)-10-(9-phenylcarbazol-3-yl)-2-(2H-tetrazol-5-yl)anthracen-9-yl]-9-phenylcarbazole (PubChem CID 122205735) has the molecular formula C65H46N6 and a molecular weight of 911.13 g/mol. Its IUPAC name is 3-[9,10-bis(4-methylphenyl)-10-(9-phenylcarbazol-3-yl)-2-(2H-tetrazol-5-yl)anthracen-9-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[9,10-bis(4-methylphenyl)-10-(9-phenylcarbazol-3-yl)-2-(2H-tetrazol-5-yl)anthracen-9-yl]-9-phenylcarbazole
PubChem CID122205735
Molecular FormulaC65H46N6
Molecular Weight911.13 g/mol
Exact Mass910.38
IUPAC Name3-[9,10-bis(4-methylphenyl)-10-(9-phenylcarbazol-3-yl)-2-(2H-tetrazol-5-yl)anthracen-9-yl]-9-phenylcarbazole
SMILESCc1ccc(C2(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3ccccc3C(c3ccc(C)cc3)(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3cc(-c4nn[nH]n4)ccc32)cc1
InChIInChI=1S/C65H46N6/c1-42-25-30-45(31-26-42)64(47-34-37-61-53(40-47)51-19-9-13-23-59(51)70(61)49-15-5-3-6-16-49)55-21-11-12-22-56(55)65(46-32-27-43(2)28-33-46,58-39-44(29-36-57(58)64)63-66-68-69-67-63)48-35-38-62-54(41-48)52-20-10-14-24-60(52)71(62)50-17-7-4-8-18-50/h3-41H,1-2H3,(H,66,67,68,69)
InChIKeyOETSDKOUUUXSLO-UHFFFAOYSA-N
XLogP14.76
TPSA64.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500911.13
LogP ≤ 514.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

9-[4-[11-(4-carbazol-9-ylphenyl)-1,8-diphenyl-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]carbazole
CID 58501039
3-[9,9-bis(4-methylphenyl)-7-[3-[4-phenyl-6-(4-tritiophenyl)-1,3,5-triazin-2-yl]phenyl]fluoren-3-yl]-9-(4-tritiophenyl)carbazole
CID 162483839
3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-bis(4-methylphenyl)fluoren-2-yl]-9-phenylcarbazole
CID 118507677
9-[3-[5,8-diphenyl-11-(4-phenylphenyl)-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]carbazole
CID 70669817
9-phenyl-3-(9-phenylxanthen-9-yl)carbazole
CID 134164714
9-phenyl-6-(9-phenylcarbazol-3-yl)-2-(9-phenylfluoren-9-yl)carbazole
CID 118145084
9-(4-carbazol-9-ylphenyl)-3-[9-[9-(4-carbazol-9-ylphenyl)carbazol-3-yl]-2,7-dimethylfluoren-9-yl]carbazole
CID 58412014
9-phenyl-3-(9-phenylfluoren-9-yl)-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 121311550
9-phenyl-9-(9-phenylcarbazol-3-yl)-10-[4-(9-phenylcarbazol-3-yl)phenyl]acridine
CID 146511276
3-[4-[9,9-diphenyl-7-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-yl]phenyl]-9-phenylcarbazole
CID 89118693
9-[3-[5-carbazol-9-yl-11-(2-methylquinolin-7-yl)-8-phenyl-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]carbazole
CID 58501050
3-(9-phenylcarbazol-1-yl)-6-(9-phenylfluoren-9-yl)-9-(3-phenylphenyl)carbazole
CID 121311539

Frequently Asked Questions

What is the IUPAC name of 3-[9,10-bis(4-methylphenyl)-10-(9-phenylcarbazol-3-yl)-2-(2H-tetrazol-5-yl)anthracen-9-yl]-9-phenylcarbazole?
The IUPAC name of 3-[9,10-bis(4-methylphenyl)-10-(9-phenylcarbazol-3-yl)-2-(2H-tetrazol-5-yl)anthracen-9-yl]-9-phenylcarbazole (CID 122205735) is 3-[9,10-bis(4-methylphenyl)-10-(9-phenylcarbazol-3-yl)-2-(2H-tetrazol-5-yl)anthracen-9-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[9,10-bis(4-methylphenyl)-10-(9-phenylcarbazol-3-yl)-2-(2H-tetrazol-5-yl)anthracen-9-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[9,10-bis(4-methylphenyl)-10-(9-phenylcarbazol-3-yl)-2-(2H-tetrazol-5-yl)anthracen-9-yl]-9-phenylcarbazole is Cc1ccc(C2(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3ccccc3C(c3ccc(C)cc3)(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3cc(-c4nn[nH]n4)ccc32)cc1.
What is the InChIKey of 3-[9,10-bis(4-methylphenyl)-10-(9-phenylcarbazol-3-yl)-2-(2H-tetrazol-5-yl)anthracen-9-yl]-9-phenylcarbazole?
The InChIKey is OETSDKOUUUXSLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H46N6/c1-42-25-30-45(31-26-42)64(47-34-37-61-53(40-47)51-19-9-13-23-59(51)70(61)49-15-5-3-6-16-49)55-21-11-12-22-56(55)65(46-32-27-43(2)28-33-46,58-39-44(29-36-57(58)64)63-66-68-69-67-63)48-35-38-62-54(41-48)52-20-10-14-24-60(52)71(62)50-17-7-4-8-18-50/h3-41H,1-2H3,(H,66,67,68,69).
What are the key properties of 3-[9,10-bis(4-methylphenyl)-10-(9-phenylcarbazol-3-yl)-2-(2H-tetrazol-5-yl)anthracen-9-yl]-9-phenylcarbazole?
3-[9,10-bis(4-methylphenyl)-10-(9-phenylcarbazol-3-yl)-2-(2H-tetrazol-5-yl)anthracen-9-yl]-9-phenylcarbazole has a molecular weight of 911.13 g/mol, XLogP of 14.76, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9,10-bis(4-methylphenyl)-10-(9-phenylcarbazol-3-yl)-2-(2H-tetrazol-5-yl)anthracen-9-yl]-9-phenylcarbazole is sourced from PubChem (CID 122205735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).