18-(9,9-dimethylfluoren-2-yl)-14-[9,9-dimethyl-7-[4-(4-phenylphenyl)phenyl]fluoren-2-yl]-14-azatetracyclo[13.3.1.02,7.08,13]nonadeca-2,4,6,8,10,12,15,17-octaene

C66H51N — CID 121321602

IUPAC18-(9,9-dimethylfluoren-2-yl)-14-[9,9-dimethyl-7-[4-(4-phenylphenyl)phenyl]fluoren-2-yl]-14-azatetracyclo[13.3.1.02,7.08,13]nonadeca-2,4,6,8,10,12,15,17-octaene
SMILESCC1(C)c2ccccc2-c2ccc(C3=CC=C4CC3c3ccccc3-c3ccccc3N4c3ccc4c(c3)C(C)(C)c3cc(-c5ccc(-c6ccc(-c7ccccc7)cc6)cc5)ccc3-4)cc21
InChIInChI=1S/C66H51N/c1-65(2)60-20-12-10-18-54(60)55-35-31-48(39-62(55)65)51-36-32-49-40-59(51)53-17-9-8-16-52(53)58-19-11-13-21-64(58)67(49)50-33-37-57-56-34-30-47(38-61(56)66(3,4)63(57)41-50)46-28-26-45(27-29-46)44-24-22-43(23-25-44)42-14-6-5-7-15-42/h5-39,41,59H,40H2,1-4H3
InChIKeyDPXQDQMQHZMUHT-UHFFFAOYSA-N
MW858.14 g/mol
LogP17.57
Rot. Bonds5

About 18-(9,9-dimethylfluoren-2-yl)-14-[9,9-dimethyl-7-[4-(4-phenylphenyl)phenyl]fluoren-2-yl]-14-azatetracyclo[13.3.1.02,7.08,13]nonadeca-2,4,6,8,10,12,15,17-octaene

18-(9,9-dimethylfluoren-2-yl)-14-[9,9-dimethyl-7-[4-(4-phenylphenyl)phenyl]fluoren-2-yl]-14-azatetracyclo[13.3.1.02,7.08,13]nonadeca-2,4,6,8,10,12,15,17-octaene (PubChem CID 121321602) has the molecular formula C66H51N and a molecular weight of 858.14 g/mol. Its IUPAC name is 18-(9,9-dimethylfluoren-2-yl)-14-[9,9-dimethyl-7-[4-(4-phenylphenyl)phenyl]fluoren-2-yl]-14-azatetracyclo[13.3.1.02,7.08,13]nonadeca-2,4,6,8,10,12,15,17-octaene.

Molecular Properties

Compound Name18-(9,9-dimethylfluoren-2-yl)-14-[9,9-dimethyl-7-[4-(4-phenylphenyl)phenyl]fluoren-2-yl]-14-azatetracyclo[13.3.1.02,7.08,13]nonadeca-2,4,6,8,10,12,15,17-octaene
PubChem CID121321602
Molecular FormulaC66H51N
Molecular Weight858.14 g/mol
Exact Mass857.40
IUPAC Name18-(9,9-dimethylfluoren-2-yl)-14-[9,9-dimethyl-7-[4-(4-phenylphenyl)phenyl]fluoren-2-yl]-14-azatetracyclo[13.3.1.02,7.08,13]nonadeca-2,4,6,8,10,12,15,17-octaene
SMILESCC1(C)c2ccccc2-c2ccc(C3=CC=C4CC3c3ccccc3-c3ccccc3N4c3ccc4c(c3)C(C)(C)c3cc(-c5ccc(-c6ccc(-c7ccccc7)cc6)cc5)ccc3-4)cc21
InChIInChI=1S/C66H51N/c1-65(2)60-20-12-10-18-54(60)55-35-31-48(39-62(55)65)51-36-32-49-40-59(51)53-17-9-8-16-52(53)58-19-11-13-21-64(58)67(49)50-33-37-57-56-34-30-47(38-61(56)66(3,4)63(57)41-50)46-28-26-45(27-29-46)44-24-22-43(23-25-44)42-14-6-5-7-15-42/h5-39,41,59H,40H2,1-4H3
InChIKeyDPXQDQMQHZMUHT-UHFFFAOYSA-N
XLogP17.57
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500858.14
LogP ≤ 517.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 18-(9,9-dimethylfluoren-2-yl)-14-[9,9-dimethyl-7-[4-(4-phenylphenyl)phenyl]fluoren-2-yl]-14-azatetracyclo[13.3.1.02,7.08,13]nonadeca-2,4,6,8,10,12,15,17-octaene with MolForge

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Related Compounds

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
10-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylacridine
CID 155244755
10-(9,9-dimethylfluoren-2-yl)-9-methyl-2-(2-phenylphenyl)-7-(4-phenylphenyl)-9H-acridine
CID 155220844
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
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
CID 122659751
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
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
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
1-[2-(9,9-dimethylfluoren-2-yl)-5-phenylphenyl]-9-phenyl-4a,9a-dihydrocarbazole
CID 145340801
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-[14-[3-(9,9-dimethylfluoren-2-yl)phenyl]-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-[3-(9,9-dimethylfluoren-2-yl)phenyl]-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-[3-(9,9-dimethylfluoren-2-yl)phenyl]-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;10-[14-[3-(9,9-dimethylfluoren-2-yl)phenyl]-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-pyridin-3-ylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene
CID 159019411
6-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3,5-diphenylphenyl)-4,4a-dihydrocarbazole
CID 145340628

Frequently Asked Questions

What is the IUPAC name of 18-(9,9-dimethylfluoren-2-yl)-14-[9,9-dimethyl-7-[4-(4-phenylphenyl)phenyl]fluoren-2-yl]-14-azatetracyclo[13.3.1.02,7.08,13]nonadeca-2,4,6,8,10,12,15,17-octaene?
The IUPAC name of 18-(9,9-dimethylfluoren-2-yl)-14-[9,9-dimethyl-7-[4-(4-phenylphenyl)phenyl]fluoren-2-yl]-14-azatetracyclo[13.3.1.02,7.08,13]nonadeca-2,4,6,8,10,12,15,17-octaene (CID 121321602) is 18-(9,9-dimethylfluoren-2-yl)-14-[9,9-dimethyl-7-[4-(4-phenylphenyl)phenyl]fluoren-2-yl]-14-azatetracyclo[13.3.1.02,7.08,13]nonadeca-2,4,6,8,10,12,15,17-octaene.
What is the SMILES notation for 18-(9,9-dimethylfluoren-2-yl)-14-[9,9-dimethyl-7-[4-(4-phenylphenyl)phenyl]fluoren-2-yl]-14-azatetracyclo[13.3.1.02,7.08,13]nonadeca-2,4,6,8,10,12,15,17-octaene?
The canonical SMILES for 18-(9,9-dimethylfluoren-2-yl)-14-[9,9-dimethyl-7-[4-(4-phenylphenyl)phenyl]fluoren-2-yl]-14-azatetracyclo[13.3.1.02,7.08,13]nonadeca-2,4,6,8,10,12,15,17-octaene is CC1(C)c2ccccc2-c2ccc(C3=CC=C4CC3c3ccccc3-c3ccccc3N4c3ccc4c(c3)C(C)(C)c3cc(-c5ccc(-c6ccc(-c7ccccc7)cc6)cc5)ccc3-4)cc21.
What is the InChIKey of 18-(9,9-dimethylfluoren-2-yl)-14-[9,9-dimethyl-7-[4-(4-phenylphenyl)phenyl]fluoren-2-yl]-14-azatetracyclo[13.3.1.02,7.08,13]nonadeca-2,4,6,8,10,12,15,17-octaene?
The InChIKey is DPXQDQMQHZMUHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H51N/c1-65(2)60-20-12-10-18-54(60)55-35-31-48(39-62(55)65)51-36-32-49-40-59(51)53-17-9-8-16-52(53)58-19-11-13-21-64(58)67(49)50-33-37-57-56-34-30-47(38-61(56)66(3,4)63(57)41-50)46-28-26-45(27-29-46)44-24-22-43(23-25-44)42-14-6-5-7-15-42/h5-39,41,59H,40H2,1-4H3.
What are the key properties of 18-(9,9-dimethylfluoren-2-yl)-14-[9,9-dimethyl-7-[4-(4-phenylphenyl)phenyl]fluoren-2-yl]-14-azatetracyclo[13.3.1.02,7.08,13]nonadeca-2,4,6,8,10,12,15,17-octaene?
18-(9,9-dimethylfluoren-2-yl)-14-[9,9-dimethyl-7-[4-(4-phenylphenyl)phenyl]fluoren-2-yl]-14-azatetracyclo[13.3.1.02,7.08,13]nonadeca-2,4,6,8,10,12,15,17-octaene has a molecular weight of 858.14 g/mol, XLogP of 17.57, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 18-(9,9-dimethylfluoren-2-yl)-14-[9,9-dimethyl-7-[4-(4-phenylphenyl)phenyl]fluoren-2-yl]-14-azatetracyclo[13.3.1.02,7.08,13]nonadeca-2,4,6,8,10,12,15,17-octaene is sourced from PubChem (CID 121321602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).