7-(20,20-dimethyl-6-pentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaenyl)-9,9-dimethyl-N,N-diphenylfluoren-2-amine

C54H43N — CID 166906531

IUPAC7-(20,20-dimethyl-6-pentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaenyl)-9,9-dimethyl-N,N-diphenylfluoren-2-amine
SMILESCC1(C)c2cc(-c3cccc4c3-c3ccccc3-c3ccccc3C(C)(C)c3ccccc3-4)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C54H43N/c1-53(2)48-28-15-13-23-42(48)41-22-11-12-25-46(41)52-40(26-17-27-47(52)43-24-14-16-29-49(43)53)36-30-32-44-45-33-31-39(35-51(45)54(3,4)50(44)34-36)55(37-18-7-5-8-19-37)38-20-9-6-10-21-38/h5-35H,1-4H3
InChIKeyBCDNGBDAKAJPJU-UHFFFAOYSA-N
MW705.95 g/mol
LogP14.77
Rot. Bonds4

About 7-(20,20-dimethyl-6-pentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaenyl)-9,9-dimethyl-N,N-diphenylfluoren-2-amine

7-(20,20-dimethyl-6-pentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaenyl)-9,9-dimethyl-N,N-diphenylfluoren-2-amine (PubChem CID 166906531) has the molecular formula C54H43N and a molecular weight of 705.95 g/mol. Its IUPAC name is 7-(20,20-dimethyl-6-pentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaenyl)-9,9-dimethyl-N,N-diphenylfluoren-2-amine.

Molecular Properties

Compound Name7-(20,20-dimethyl-6-pentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaenyl)-9,9-dimethyl-N,N-diphenylfluoren-2-amine
PubChem CID166906531
Molecular FormulaC54H43N
Molecular Weight705.95 g/mol
Exact Mass705.34
IUPAC Name7-(20,20-dimethyl-6-pentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaenyl)-9,9-dimethyl-N,N-diphenylfluoren-2-amine
SMILESCC1(C)c2cc(-c3cccc4c3-c3ccccc3-c3ccccc3C(C)(C)c3ccccc3-4)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C54H43N/c1-53(2)48-28-15-13-23-42(48)41-22-11-12-25-46(41)52-40(26-17-27-47(52)43-24-14-16-29-49(43)53)36-30-32-44-45-33-31-39(35-51(45)54(3,4)50(44)34-36)55(37-18-7-5-8-19-37)38-20-9-6-10-21-38/h5-35H,1-4H3
InChIKeyBCDNGBDAKAJPJU-UHFFFAOYSA-N
XLogP14.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.95
LogP ≤ 514.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 7-(20,20-dimethyl-6-pentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaenyl)-9,9-dimethyl-N,N-diphenylfluoren-2-amine with MolForge

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Related Compounds

4-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyl-4-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 59025126
N-[3-[10-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 169284348
N,N-bis[4-(2,6-diphenylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 168771647
1-N,3-N-bis(9,9-dimethylfluoren-2-yl)-5-[2-(2,6-diphenylphenyl)phenyl]-1-N,3-N-diphenylbenzene-1,3-diamine
CID 177286692
N-[4-[2-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 121298487
7-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 153018330
N-[4-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 169230595
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118146254
9,9-dimethyl-N-[3-(2-phenylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 167285489
9,9-dimethyl-N-(4-phenylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 167285492
4-N,4-N-bis(9,9-dimethylfluoren-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 23561786
N-[3-[6-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-9,9,10,10-tetramethylanthracen-2-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 59649074

Frequently Asked Questions

What is the IUPAC name of 7-(20,20-dimethyl-6-pentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaenyl)-9,9-dimethyl-N,N-diphenylfluoren-2-amine?
The IUPAC name of 7-(20,20-dimethyl-6-pentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaenyl)-9,9-dimethyl-N,N-diphenylfluoren-2-amine (CID 166906531) is 7-(20,20-dimethyl-6-pentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaenyl)-9,9-dimethyl-N,N-diphenylfluoren-2-amine.
What is the SMILES notation for 7-(20,20-dimethyl-6-pentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaenyl)-9,9-dimethyl-N,N-diphenylfluoren-2-amine?
The canonical SMILES for 7-(20,20-dimethyl-6-pentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaenyl)-9,9-dimethyl-N,N-diphenylfluoren-2-amine is CC1(C)c2cc(-c3cccc4c3-c3ccccc3-c3ccccc3C(C)(C)c3ccccc3-4)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21.
What is the InChIKey of 7-(20,20-dimethyl-6-pentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaenyl)-9,9-dimethyl-N,N-diphenylfluoren-2-amine?
The InChIKey is BCDNGBDAKAJPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H43N/c1-53(2)48-28-15-13-23-42(48)41-22-11-12-25-46(41)52-40(26-17-27-47(52)43-24-14-16-29-49(43)53)36-30-32-44-45-33-31-39(35-51(45)54(3,4)50(44)34-36)55(37-18-7-5-8-19-37)38-20-9-6-10-21-38/h5-35H,1-4H3.
What are the key properties of 7-(20,20-dimethyl-6-pentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaenyl)-9,9-dimethyl-N,N-diphenylfluoren-2-amine?
7-(20,20-dimethyl-6-pentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaenyl)-9,9-dimethyl-N,N-diphenylfluoren-2-amine has a molecular weight of 705.95 g/mol, XLogP of 14.77, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(20,20-dimethyl-6-pentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaenyl)-9,9-dimethyl-N,N-diphenylfluoren-2-amine is sourced from PubChem (CID 166906531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).