16-[2,3-bis(9,9-dimethylfluoren-2-yl)quinoxalin-6-yl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene

C66H46N4 — CID 154952278

IUPAC16-[2,3-bis(9,9-dimethylfluoren-2-yl)quinoxalin-6-yl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc4ccc(-n5c6ccccc6c6cc7c8ccc9ccccc9c8n(-c8ccccc8)c7cc65)cc4nc3-c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21
InChIInChI=1S/C66H46N4/c1-65(2)53-23-13-10-20-45(53)47-30-27-40(34-55(47)65)62-63(41-28-31-48-46-21-11-14-24-54(46)66(3,4)56(48)35-41)68-58-36-43(29-33-57(58)67-62)69-59-25-15-12-22-49(59)51-37-52-50-32-26-39-16-8-9-19-44(39)64(50)70(61(52)38-60(51)69)42-17-6-5-7-18-42/h5-38H,1-4H3
InChIKeySVWBBWUPWFRBMX-UHFFFAOYSA-N
MW895.12 g/mol
LogP16.92
Rot. Bonds4

About 16-[2,3-bis(9,9-dimethylfluoren-2-yl)quinoxalin-6-yl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene

16-[2,3-bis(9,9-dimethylfluoren-2-yl)quinoxalin-6-yl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene (PubChem CID 154952278) has the molecular formula C66H46N4 and a molecular weight of 895.12 g/mol. Its IUPAC name is 16-[2,3-bis(9,9-dimethylfluoren-2-yl)quinoxalin-6-yl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene.

Molecular Properties

Compound Name16-[2,3-bis(9,9-dimethylfluoren-2-yl)quinoxalin-6-yl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
PubChem CID154952278
Molecular FormulaC66H46N4
Molecular Weight895.12 g/mol
Exact Mass894.37
IUPAC Name16-[2,3-bis(9,9-dimethylfluoren-2-yl)quinoxalin-6-yl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc4ccc(-n5c6ccccc6c6cc7c8ccc9ccccc9c8n(-c8ccccc8)c7cc65)cc4nc3-c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21
InChIInChI=1S/C66H46N4/c1-65(2)53-23-13-10-20-45(53)47-30-27-40(34-55(47)65)62-63(41-28-31-48-46-21-11-14-24-54(46)66(3,4)56(48)35-41)68-58-36-43(29-33-57(58)67-62)69-59-25-15-12-22-49(59)51-37-52-50-32-26-39-16-8-9-19-44(39)64(50)70(61(52)38-60(51)69)42-17-6-5-7-18-42/h5-38H,1-4H3
InChIKeySVWBBWUPWFRBMX-UHFFFAOYSA-N
XLogP16.92
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500895.12
LogP ≤ 516.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 16-[2,3-bis(9,9-dimethylfluoren-2-yl)quinoxalin-6-yl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene with MolForge

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Related Compounds

9-[2,3-bis(9,9-dimethylfluoren-2-yl)quinoxalin-6-yl]-24-phenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
CID 149090484
8-benzo[a]carbazol-11-yl-5-[3-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]phenyl]benzo[b]carbazole
CID 146375702
9-(9,9-dimethylfluoren-2-yl)-N-phenylcarbazol-3-amine;N,11-diphenylbenzo[a]carbazol-8-amine;N,9-diphenylcarbazol-3-amine;N-phenyl-11-(4-phenylphenyl)benzo[a]carbazol-8-amine
CID 159034865
8-benzo[a]carbazol-11-yl-5-[2-(9,9-dimethylfluoren-2-yl)quinazolin-4-yl]benzo[b]carbazole;8-benzo[a]carbazol-11-yl-5-(2-phenanthren-3-ylquinazolin-4-yl)benzo[b]carbazole;8-benzo[a]carbazol-11-yl-5-[2-(9-phenylcarbazol-2-yl)quinazolin-4-yl]benzo[b]carbazole
CID 159439696
6-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenanthridine
CID 121337153
8-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-12,12-dimethyl-11-phenylindeno[2,1-a]carbazole
CID 130289398
12-(9,9-dimethylfluoren-2-yl)-11-[4-(4,6-diphenyl-2-pyridinyl)phenyl]indolo[2,3-a]carbazole
CID 121385344
2-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9-naphthalen-2-ylcarbazole
CID 129312240
15-(9,9-dimethylfluoren-2-yl)-10-phenyl-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 90310203
6-(9,9-dimethylfluoren-2-yl)-2-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-naphthalen-2-yl-2-(9-phenylcarbazol-3-yl)-6-triphenylen-2-ylcarbazole;6-phenanthren-9-yl-2-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 161421085
11-[4-[3-[[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]amino]phenyl]phenyl]-N-phenylbenzo[a]carbazol-8-amine
CID 135169249
12-(9,9-dimethylfluoren-2-yl)-16-(3-phenylquinoxalin-2-yl)-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene
CID 139322555

Frequently Asked Questions

What is the IUPAC name of 16-[2,3-bis(9,9-dimethylfluoren-2-yl)quinoxalin-6-yl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene?
The IUPAC name of 16-[2,3-bis(9,9-dimethylfluoren-2-yl)quinoxalin-6-yl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene (CID 154952278) is 16-[2,3-bis(9,9-dimethylfluoren-2-yl)quinoxalin-6-yl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene.
What is the SMILES notation for 16-[2,3-bis(9,9-dimethylfluoren-2-yl)quinoxalin-6-yl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene?
The canonical SMILES for 16-[2,3-bis(9,9-dimethylfluoren-2-yl)quinoxalin-6-yl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene is CC1(C)c2ccccc2-c2ccc(-c3nc4ccc(-n5c6ccccc6c6cc7c8ccc9ccccc9c8n(-c8ccccc8)c7cc65)cc4nc3-c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21.
What is the InChIKey of 16-[2,3-bis(9,9-dimethylfluoren-2-yl)quinoxalin-6-yl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene?
The InChIKey is SVWBBWUPWFRBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H46N4/c1-65(2)53-23-13-10-20-45(53)47-30-27-40(34-55(47)65)62-63(41-28-31-48-46-21-11-14-24-54(46)66(3,4)56(48)35-41)68-58-36-43(29-33-57(58)67-62)69-59-25-15-12-22-49(59)51-37-52-50-32-26-39-16-8-9-19-44(39)64(50)70(61(52)38-60(51)69)42-17-6-5-7-18-42/h5-38H,1-4H3.
What are the key properties of 16-[2,3-bis(9,9-dimethylfluoren-2-yl)quinoxalin-6-yl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene?
16-[2,3-bis(9,9-dimethylfluoren-2-yl)quinoxalin-6-yl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene has a molecular weight of 895.12 g/mol, XLogP of 16.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 16-[2,3-bis(9,9-dimethylfluoren-2-yl)quinoxalin-6-yl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene is sourced from PubChem (CID 154952278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).