10,23-bis(9,9-dimethylfluoren-4-yl)-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene

C54H39N — CID 121446814

IUPAC10,23-bis(9,9-dimethylfluoren-4-yl)-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene
SMILESCC1(C)c2ccccc2-c2c(-c3ccc4c(c3)-c3ccccc3-c3cc(-c5cccc6c5-c5ccccc5C6(C)C)cc5c6ccccc6n-4c35)cccc21
InChIInChI=1S/C54H39N/c1-53(2)44-22-10-7-18-39(44)50-34(20-13-24-46(50)53)32-27-28-49-41(29-32)36-15-5-6-16-37(36)42-30-33(31-43-38-17-9-12-26-48(38)55(49)52(42)43)35-21-14-25-47-51(35)40-19-8-11-23-45(40)54(47,3)4/h5-31H,1-4H3
InChIKeyBFWPTHLNKJWQLK-UHFFFAOYSA-N
MW701.91 g/mol
LogP14.38
Rot. Bonds2

About 10,23-bis(9,9-dimethylfluoren-4-yl)-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene

10,23-bis(9,9-dimethylfluoren-4-yl)-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene (PubChem CID 121446814) has the molecular formula C54H39N and a molecular weight of 701.91 g/mol. Its IUPAC name is 10,23-bis(9,9-dimethylfluoren-4-yl)-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene.

Molecular Properties

Compound Name10,23-bis(9,9-dimethylfluoren-4-yl)-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene
PubChem CID121446814
Molecular FormulaC54H39N
Molecular Weight701.91 g/mol
Exact Mass701.31
IUPAC Name10,23-bis(9,9-dimethylfluoren-4-yl)-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene
SMILESCC1(C)c2ccccc2-c2c(-c3ccc4c(c3)-c3ccccc3-c3cc(-c5cccc6c5-c5ccccc5C6(C)C)cc5c6ccccc6n-4c35)cccc21
InChIInChI=1S/C54H39N/c1-53(2)44-22-10-7-18-39(44)50-34(20-13-24-46(50)53)32-27-28-49-41(29-32)36-15-5-6-16-37(36)42-30-33(31-43-38-17-9-12-26-48(38)55(49)52(42)43)35-21-14-25-47-51(35)40-19-8-11-23-45(40)54(47,3)4/h5-31H,1-4H3
InChIKeyBFWPTHLNKJWQLK-UHFFFAOYSA-N
XLogP14.38
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500701.91
LogP ≤ 514.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 10,23-bis(9,9-dimethylfluoren-4-yl)-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene with MolForge

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Related Compounds

10,23-bis(9,9'-spirobi[fluorene]-4'-yl)-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene
CID 140941897
20-[4-(9,9-dimethylfluoren-4-yl)phenyl]-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaene
CID 134580551
3-[9-(9,9-dimethylfluoren-4-yl)carbazol-3-yl]-9-(2-phenylphenyl)carbazole
CID 146664841
11-[4-(9,9-dimethylfluoren-4-yl)phenyl]-5-phenylindolo[3,2-b]carbazole
CID 118487938
1-[3-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-3-phenyl-9-(4-phenylquinazolin-2-yl)carbazole
CID 142568512
10,23-di(triphenylen-2-yl)-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene
CID 121446866
12-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenylpyrimidin-2-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole
CID 149347203
5-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-7-(2-triphenylen-2-ylphenyl)indolo[2,3-b]carbazole
CID 170542497
9-[5-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]-3-phenylcarbazole
CID 177287146
2'-(9,9-dimethylfluoren-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-thioxanthene]
CID 135139987
1,2-bis(9,9-dimethylfluoren-3-yl)-9-(4-phenylphenyl)carbazole;1,3-bis(9,9-dimethylfluoren-1-yl)-9-(4-phenylphenyl)carbazole;3-[6-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-3-yl]-9-(4-phenylphenyl)carbazole
CID 159237487
9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-14,14-dimethyl-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 162481673

Frequently Asked Questions

What is the IUPAC name of 10,23-bis(9,9-dimethylfluoren-4-yl)-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene?
The IUPAC name of 10,23-bis(9,9-dimethylfluoren-4-yl)-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene (CID 121446814) is 10,23-bis(9,9-dimethylfluoren-4-yl)-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene.
What is the SMILES notation for 10,23-bis(9,9-dimethylfluoren-4-yl)-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene?
The canonical SMILES for 10,23-bis(9,9-dimethylfluoren-4-yl)-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene is CC1(C)c2ccccc2-c2c(-c3ccc4c(c3)-c3ccccc3-c3cc(-c5cccc6c5-c5ccccc5C6(C)C)cc5c6ccccc6n-4c35)cccc21.
What is the InChIKey of 10,23-bis(9,9-dimethylfluoren-4-yl)-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene?
The InChIKey is BFWPTHLNKJWQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H39N/c1-53(2)44-22-10-7-18-39(44)50-34(20-13-24-46(50)53)32-27-28-49-41(29-32)36-15-5-6-16-37(36)42-30-33(31-43-38-17-9-12-26-48(38)55(49)52(42)43)35-21-14-25-47-51(35)40-19-8-11-23-45(40)54(47,3)4/h5-31H,1-4H3.
What are the key properties of 10,23-bis(9,9-dimethylfluoren-4-yl)-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene?
10,23-bis(9,9-dimethylfluoren-4-yl)-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene has a molecular weight of 701.91 g/mol, XLogP of 14.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10,23-bis(9,9-dimethylfluoren-4-yl)-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene is sourced from PubChem (CID 121446814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).