5-[8-(7,7-dimethylbenzo[c]fluoren-5-yl)dibenzofuran-2-yl]-16-phenyl-16-azahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(23),17,19,21,24-dodecaene

C61H39NO — CID 164741757

IUPAC5-[8-(7,7-dimethylbenzo[c]fluoren-5-yl)dibenzofuran-2-yl]-16-phenyl-16-azahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(23),17,19,21,24-dodecaene
SMILESCC1(C)c2ccccc2-c2c1cc(-c1ccc3oc4ccc(-c5ccc6c(c5)c5ccccc5c5c6ccc6c7ccccc7n(-c7ccccc7)c65)cc4c3c1)c1ccccc21
InChIInChI=1S/C61H39NO/c1-61(2)53-22-12-10-21-48(53)58-44-19-8-6-16-40(44)49(35-54(58)61)38-26-31-57-52(34-38)51-33-37(25-30-56(51)63-57)36-24-27-42-46-28-29-47-43-18-11-13-23-55(43)62(39-14-4-3-5-15-39)60(47)59(46)45-20-9-7-17-41(45)50(42)32-36/h3-35H,1-2H3
InChIKeyWFTFKIIVHGHOJP-UHFFFAOYSA-N
MW801.99 g/mol
LogP16.94
Rot. Bonds3

About 5-[8-(7,7-dimethylbenzo[c]fluoren-5-yl)dibenzofuran-2-yl]-16-phenyl-16-azahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(23),17,19,21,24-dodecaene

5-[8-(7,7-dimethylbenzo[c]fluoren-5-yl)dibenzofuran-2-yl]-16-phenyl-16-azahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(23),17,19,21,24-dodecaene (PubChem CID 164741757) has the molecular formula C61H39NO and a molecular weight of 801.99 g/mol. Its IUPAC name is 5-[8-(7,7-dimethylbenzo[c]fluoren-5-yl)dibenzofuran-2-yl]-16-phenyl-16-azahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(23),17,19,21,24-dodecaene.

Molecular Properties

Compound Name5-[8-(7,7-dimethylbenzo[c]fluoren-5-yl)dibenzofuran-2-yl]-16-phenyl-16-azahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(23),17,19,21,24-dodecaene
PubChem CID164741757
Molecular FormulaC61H39NO
Molecular Weight801.99 g/mol
Exact Mass801.30
IUPAC Name5-[8-(7,7-dimethylbenzo[c]fluoren-5-yl)dibenzofuran-2-yl]-16-phenyl-16-azahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(23),17,19,21,24-dodecaene
SMILESCC1(C)c2ccccc2-c2c1cc(-c1ccc3oc4ccc(-c5ccc6c(c5)c5ccccc5c5c6ccc6c7ccccc7n(-c7ccccc7)c65)cc4c3c1)c1ccccc21
InChIInChI=1S/C61H39NO/c1-61(2)53-22-12-10-21-48(53)58-44-19-8-6-16-40(44)49(35-54(58)61)38-26-31-57-52(34-38)51-33-37(25-30-56(51)63-57)36-24-27-42-46-28-29-47-43-18-11-13-23-55(43)62(39-14-4-3-5-15-39)60(47)59(46)45-20-9-7-17-41(45)50(42)32-36/h3-35H,1-2H3
InChIKeyWFTFKIIVHGHOJP-UHFFFAOYSA-N
XLogP16.94
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500801.99
LogP ≤ 516.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 5-[8-(7,7-dimethylbenzo[c]fluoren-5-yl)dibenzofuran-2-yl]-16-phenyl-16-azahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(23),17,19,21,24-dodecaene with MolForge

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Related Compounds

12,12-dimethyl-8-[10-(23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-19-yl)anthracen-9-yl]-11-phenylindeno[2,1-a]carbazole
CID 155007997
9,9-dimethyl-19-phenyl-19-azaheptacyclo[15.11.0.02,10.03,8.011,16.018,26.020,25]octacosa-1(17),2(10),3,5,7,11,13,15,18(26),20,22,24,27-tridecaene
CID 126737984
11-[4-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)phenyl]benzo[a]carbazole
CID 140907221
14,14-dimethyl-9-phenyl-11-[9-(4-phenylphenyl)carbazol-2-yl]-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 145370486
2-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 134223314
11-(21-dibenzofuran-2-yl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-17-yl)-23-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaene;18,21-di(dibenzofuran-2-yl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
CID 158774337
3-[9-(4-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 158323830
2-[9,9-dimethyl-2-(9-phenylcarbazol-3-yl)fluoren-4-yl]-9-phenylcarbazole
CID 157250025
N-[4-[7-[7-[4-[4-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]anilino]phenyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 139504991
7,7-dimethyl-5-phenyl-2-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]indeno[2,1-b]carbazole;5,7-diphenyl-2-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]indolo[2,3-b]carbazole
CID 163758955
2-(4-dibenzofuran-2-ylphenyl)-9-(3-phenylphenyl)carbazole;3-dibenzofuran-1-yl-9-[4-(4-phenylphenyl)phenyl]carbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 159534848
15,15-dimethyl-12-(4-triphenylen-2-ylphenyl)-24-oxa-12-azaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.018,23]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),18,20,22,26-dodecaene
CID 118892015

Frequently Asked Questions

What is the IUPAC name of 5-[8-(7,7-dimethylbenzo[c]fluoren-5-yl)dibenzofuran-2-yl]-16-phenyl-16-azahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(23),17,19,21,24-dodecaene?
The IUPAC name of 5-[8-(7,7-dimethylbenzo[c]fluoren-5-yl)dibenzofuran-2-yl]-16-phenyl-16-azahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(23),17,19,21,24-dodecaene (CID 164741757) is 5-[8-(7,7-dimethylbenzo[c]fluoren-5-yl)dibenzofuran-2-yl]-16-phenyl-16-azahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(23),17,19,21,24-dodecaene.
What is the SMILES notation for 5-[8-(7,7-dimethylbenzo[c]fluoren-5-yl)dibenzofuran-2-yl]-16-phenyl-16-azahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(23),17,19,21,24-dodecaene?
The canonical SMILES for 5-[8-(7,7-dimethylbenzo[c]fluoren-5-yl)dibenzofuran-2-yl]-16-phenyl-16-azahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(23),17,19,21,24-dodecaene is CC1(C)c2ccccc2-c2c1cc(-c1ccc3oc4ccc(-c5ccc6c(c5)c5ccccc5c5c6ccc6c7ccccc7n(-c7ccccc7)c65)cc4c3c1)c1ccccc21.
What is the InChIKey of 5-[8-(7,7-dimethylbenzo[c]fluoren-5-yl)dibenzofuran-2-yl]-16-phenyl-16-azahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(23),17,19,21,24-dodecaene?
The InChIKey is WFTFKIIVHGHOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H39NO/c1-61(2)53-22-12-10-21-48(53)58-44-19-8-6-16-40(44)49(35-54(58)61)38-26-31-57-52(34-38)51-33-37(25-30-56(51)63-57)36-24-27-42-46-28-29-47-43-18-11-13-23-55(43)62(39-14-4-3-5-15-39)60(47)59(46)45-20-9-7-17-41(45)50(42)32-36/h3-35H,1-2H3.
What are the key properties of 5-[8-(7,7-dimethylbenzo[c]fluoren-5-yl)dibenzofuran-2-yl]-16-phenyl-16-azahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(23),17,19,21,24-dodecaene?
5-[8-(7,7-dimethylbenzo[c]fluoren-5-yl)dibenzofuran-2-yl]-16-phenyl-16-azahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(23),17,19,21,24-dodecaene has a molecular weight of 801.99 g/mol, XLogP of 16.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-(7,7-dimethylbenzo[c]fluoren-5-yl)dibenzofuran-2-yl]-16-phenyl-16-azahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(23),17,19,21,24-dodecaene is sourced from PubChem (CID 164741757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).