8-(9,9-dimethylfluoren-2-yl)-4,12-diphenyl-8-azaheptacyclo[12.6.6.11,9.02,7.015,20.021,26.013,27]heptacosa-2(7),3,5,9(27),10,12,15,17,19,21,23,25-dodecaene

C53H37N — CID 176747791

IUPAC8-(9,9-dimethylfluoren-2-yl)-4,12-diphenyl-8-azaheptacyclo[12.6.6.11,9.02,7.015,20.021,26.013,27]heptacosa-2(7),3,5,9(27),10,12,15,17,19,21,23,25-dodecaene
SMILESCC1(C)c2ccccc2-c2ccc(N3c4ccc(-c5ccccc5)cc4C45c6ccccc6C(c6ccccc64)c4c(-c6ccccc6)ccc3c45)cc21
InChIInChI=1S/C53H37N/c1-52(2)42-22-12-9-19-38(42)39-27-26-36(32-45(39)52)54-47-29-25-35(33-15-5-3-6-16-33)31-46(47)53-43-23-13-10-20-40(43)49(41-21-11-14-24-44(41)53)50-37(28-30-48(54)51(50)53)34-17-7-4-8-18-34/h3-32,49H,1-2H3
InChIKeyBQROCFPVCAQMDQ-UHFFFAOYSA-N
MW687.89 g/mol
LogP13.30
Rot. Bonds3

About 8-(9,9-dimethylfluoren-2-yl)-4,12-diphenyl-8-azaheptacyclo[12.6.6.11,9.02,7.015,20.021,26.013,27]heptacosa-2(7),3,5,9(27),10,12,15,17,19,21,23,25-dodecaene

8-(9,9-dimethylfluoren-2-yl)-4,12-diphenyl-8-azaheptacyclo[12.6.6.11,9.02,7.015,20.021,26.013,27]heptacosa-2(7),3,5,9(27),10,12,15,17,19,21,23,25-dodecaene (PubChem CID 176747791) has the molecular formula C53H37N and a molecular weight of 687.89 g/mol. Its IUPAC name is 8-(9,9-dimethylfluoren-2-yl)-4,12-diphenyl-8-azaheptacyclo[12.6.6.11,9.02,7.015,20.021,26.013,27]heptacosa-2(7),3,5,9(27),10,12,15,17,19,21,23,25-dodecaene.

Molecular Properties

Compound Name8-(9,9-dimethylfluoren-2-yl)-4,12-diphenyl-8-azaheptacyclo[12.6.6.11,9.02,7.015,20.021,26.013,27]heptacosa-2(7),3,5,9(27),10,12,15,17,19,21,23,25-dodecaene
PubChem CID176747791
Molecular FormulaC53H37N
Molecular Weight687.89 g/mol
Exact Mass687.29
IUPAC Name8-(9,9-dimethylfluoren-2-yl)-4,12-diphenyl-8-azaheptacyclo[12.6.6.11,9.02,7.015,20.021,26.013,27]heptacosa-2(7),3,5,9(27),10,12,15,17,19,21,23,25-dodecaene
SMILESCC1(C)c2ccccc2-c2ccc(N3c4ccc(-c5ccccc5)cc4C45c6ccccc6C(c6ccccc64)c4c(-c6ccccc6)ccc3c45)cc21
InChIInChI=1S/C53H37N/c1-52(2)42-22-12-9-19-38(42)39-27-26-36(32-45(39)52)54-47-29-25-35(33-15-5-3-6-16-33)31-46(47)53-43-23-13-10-20-40(43)49(41-21-11-14-24-44(41)53)50-37(28-30-48(54)51(50)53)34-17-7-4-8-18-34/h3-32,49H,1-2H3
InChIKeyBQROCFPVCAQMDQ-UHFFFAOYSA-N
XLogP13.30
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500687.89
LogP ≤ 513.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 8-(9,9-dimethylfluoren-2-yl)-4,12-diphenyl-8-azaheptacyclo[12.6.6.11,9.02,7.015,20.021,26.013,27]heptacosa-2(7),3,5,9(27),10,12,15,17,19,21,23,25-dodecaene with MolForge

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Related Compounds

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CID 155220844
14-(9,9-dimethyl-7-phenylfluoren-2-yl)-10,10,21,21-tetramethyl-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 130439455
9,9-dimethyl-2,7-bis(5-phenylthiophen-2-yl)-10-[4-(5-phenylthiophen-2-yl)phenyl]acridine;10-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-2,7-bis(5-phenylthiophen-2-yl)acridine;9,9-dimethyl-10-(4-phenylphenyl)-2,7-bis(5-phenylthiophen-2-yl)acridine
CID 158467826
10-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylacridine
CID 155244755
9,9-dimethyl-2,7-diphenyl-10-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]acridine
CID 168750142
8-(9,9-dimethylfluoren-2-yl)-5-phenyl-8-azapentacyclo[7.7.1.11,14.02,7.013,17]octadeca-2(7),3,5,9,11,13(17)-hexaene
CID 169132206
4,12-diphenyl-8-azaheptacyclo[12.6.6.11,9.02,7.015,20.021,26.013,27]heptacosa-2(7),3,5,9(27),10,12,15,17,19,21,23,25-dodecaene
CID 170120597
10-[14-(9,9-dimethylfluoren-2-yl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl]-14-naphthalen-2-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene;10-[14-(9,9-dimethylfluoren-2-yl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl]-14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene;10-[14-(9,9-dimethylfluoren-2-yl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl]-14-(3-phenylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene
CID 158973199
17-(9,9-dimethylfluoren-2-yl)-1-methyl-13-(4-naphthalen-2-ylphenyl)-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene
CID 166803687
12,27-bis(9,9-dimethylfluoren-2-yl)-12,27-diazaheptacyclo[26.2.2.28,11.213,16.223,26.02,7.017,22]octatriaconta-1(30),2,4,6,8(38),9,11(37),13(36),14,16(35),17,19,21,23,25,28,31,33-octadecaene
CID 121263135
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N,7,10-triphenylacridin-2-amine
CID 144559421
10-[6-(9H-acridin-10-yl)-9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-10-phenylanthracen-2-yl]-9H-acridine
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Frequently Asked Questions

What is the IUPAC name of 8-(9,9-dimethylfluoren-2-yl)-4,12-diphenyl-8-azaheptacyclo[12.6.6.11,9.02,7.015,20.021,26.013,27]heptacosa-2(7),3,5,9(27),10,12,15,17,19,21,23,25-dodecaene?
The IUPAC name of 8-(9,9-dimethylfluoren-2-yl)-4,12-diphenyl-8-azaheptacyclo[12.6.6.11,9.02,7.015,20.021,26.013,27]heptacosa-2(7),3,5,9(27),10,12,15,17,19,21,23,25-dodecaene (CID 176747791) is 8-(9,9-dimethylfluoren-2-yl)-4,12-diphenyl-8-azaheptacyclo[12.6.6.11,9.02,7.015,20.021,26.013,27]heptacosa-2(7),3,5,9(27),10,12,15,17,19,21,23,25-dodecaene.
What is the SMILES notation for 8-(9,9-dimethylfluoren-2-yl)-4,12-diphenyl-8-azaheptacyclo[12.6.6.11,9.02,7.015,20.021,26.013,27]heptacosa-2(7),3,5,9(27),10,12,15,17,19,21,23,25-dodecaene?
The canonical SMILES for 8-(9,9-dimethylfluoren-2-yl)-4,12-diphenyl-8-azaheptacyclo[12.6.6.11,9.02,7.015,20.021,26.013,27]heptacosa-2(7),3,5,9(27),10,12,15,17,19,21,23,25-dodecaene is CC1(C)c2ccccc2-c2ccc(N3c4ccc(-c5ccccc5)cc4C45c6ccccc6C(c6ccccc64)c4c(-c6ccccc6)ccc3c45)cc21.
What is the InChIKey of 8-(9,9-dimethylfluoren-2-yl)-4,12-diphenyl-8-azaheptacyclo[12.6.6.11,9.02,7.015,20.021,26.013,27]heptacosa-2(7),3,5,9(27),10,12,15,17,19,21,23,25-dodecaene?
The InChIKey is BQROCFPVCAQMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H37N/c1-52(2)42-22-12-9-19-38(42)39-27-26-36(32-45(39)52)54-47-29-25-35(33-15-5-3-6-16-33)31-46(47)53-43-23-13-10-20-40(43)49(41-21-11-14-24-44(41)53)50-37(28-30-48(54)51(50)53)34-17-7-4-8-18-34/h3-32,49H,1-2H3.
What are the key properties of 8-(9,9-dimethylfluoren-2-yl)-4,12-diphenyl-8-azaheptacyclo[12.6.6.11,9.02,7.015,20.021,26.013,27]heptacosa-2(7),3,5,9(27),10,12,15,17,19,21,23,25-dodecaene?
8-(9,9-dimethylfluoren-2-yl)-4,12-diphenyl-8-azaheptacyclo[12.6.6.11,9.02,7.015,20.021,26.013,27]heptacosa-2(7),3,5,9(27),10,12,15,17,19,21,23,25-dodecaene has a molecular weight of 687.89 g/mol, XLogP of 13.30, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(9,9-dimethylfluoren-2-yl)-4,12-diphenyl-8-azaheptacyclo[12.6.6.11,9.02,7.015,20.021,26.013,27]heptacosa-2(7),3,5,9(27),10,12,15,17,19,21,23,25-dodecaene is sourced from PubChem (CID 176747791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).