N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-17-[(3E,5Z)-hepta-3,5-dien-3-yl]-8,8,14,14-tetramethyl-N-phenyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-amine

C58H52N2 — CID 143983497

IUPACN-[4-(9,9-dimethylfluoren-2-yl)phenyl]-17-[(3E,5Z)-hepta-3,5-dien-3-yl]-8,8,14,14-tetramethyl-N-phenyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-amine
SMILESC/C=C\C=C(/CC)c1cc2c3c(c1)c1cc(N(c4ccccc4)c4ccc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc4)cc4c1n3-c1c(cccc1C4(C)C)C2(C)C
InChIInChI=1S/C58H52N2/c1-9-11-18-36(10-2)39-31-45-46-34-42(35-52-54(46)60-53(45)51(33-39)57(5,6)48-23-17-24-49(55(48)60)58(52,7)8)59(40-19-13-12-14-20-40)41-28-25-37(26-29-41)38-27-30-44-43-21-15-16-22-47(43)56(3,4)50(44)32-38/h9,11-35H,10H2,1-8H3/b11-9-,36-18+
InChIKeyUKDJJMWTGSLPJL-XXNBJROWSA-N
MW777.07 g/mol
LogP15.87
Rot. Bonds7

About N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-17-[(3E,5Z)-hepta-3,5-dien-3-yl]-8,8,14,14-tetramethyl-N-phenyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-amine

N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-17-[(3E,5Z)-hepta-3,5-dien-3-yl]-8,8,14,14-tetramethyl-N-phenyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-amine (PubChem CID 143983497) has the molecular formula C58H52N2 and a molecular weight of 777.07 g/mol. Its IUPAC name is N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-17-[(3E,5Z)-hepta-3,5-dien-3-yl]-8,8,14,14-tetramethyl-N-phenyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-amine.

Molecular Properties

Compound NameN-[4-(9,9-dimethylfluoren-2-yl)phenyl]-17-[(3E,5Z)-hepta-3,5-dien-3-yl]-8,8,14,14-tetramethyl-N-phenyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-amine
PubChem CID143983497
Molecular FormulaC58H52N2
Molecular Weight777.07 g/mol
Exact Mass776.41
IUPAC NameN-[4-(9,9-dimethylfluoren-2-yl)phenyl]-17-[(3E,5Z)-hepta-3,5-dien-3-yl]-8,8,14,14-tetramethyl-N-phenyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-amine
SMILESC/C=C\C=C(/CC)c1cc2c3c(c1)c1cc(N(c4ccccc4)c4ccc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc4)cc4c1n3-c1c(cccc1C4(C)C)C2(C)C
InChIInChI=1S/C58H52N2/c1-9-11-18-36(10-2)39-31-45-46-34-42(35-52-54(46)60-53(45)51(33-39)57(5,6)48-23-17-24-49(55(48)60)58(52,7)8)59(40-19-13-12-14-20-40)41-28-25-37(26-29-41)38-27-30-44-43-21-15-16-22-47(43)56(3,4)50(44)32-38/h9,11-35H,10H2,1-8H3/b11-9-,36-18+
InChIKeyUKDJJMWTGSLPJL-XXNBJROWSA-N
XLogP15.87
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500777.07
LogP ≤ 515.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-17-[(3E,5Z)-hepta-3,5-dien-3-yl]-8,8,14,14-tetramethyl-N-phenyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-amine with MolForge

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Related Compounds

N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-17-[(3E,5Z)-hepta-3,5-dien-3-yl]-8,8,14,14-tetramethyl-N-phenyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-amine;ethane
CID 143983496
4-[4-(9,9-dimethylfluoren-2-yl)-N-(8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)anilino]benzonitrile
CID 70886008
N,N-diphenyl-4-(8,8,14,14-tetramethyl-17-phenyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)aniline
CID 70886158
N-(9,9-dimethylfluoren-2-yl)-8,8,14,14-tetramethyl-N-(3-methylphenyl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-amine
CID 70885603
N,N-diphenyl-4-(8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)aniline
CID 70893138
8,8,14,14-tetramethyl-N,17-dinaphthalen-2-yl-N-phenyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-amine
CID 70892857
N-[4-[17-[4-(N-(9,9-dimethyl-7,8-dihydrofluoren-3-yl)anilino)phenyl]-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl]phenyl]-N-[(2E,4Z)-hexa-2,4-dien-3-yl]-9,9-dimethylfluoren-2-amine;(Z)-pent-2-ene
CID 143983726
N-[4-(13,13-dimethyl-16-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-10-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 121445359
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
N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenylaniline
CID 59757697
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

Frequently Asked Questions

What is the IUPAC name of N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-17-[(3E,5Z)-hepta-3,5-dien-3-yl]-8,8,14,14-tetramethyl-N-phenyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-amine?
The IUPAC name of N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-17-[(3E,5Z)-hepta-3,5-dien-3-yl]-8,8,14,14-tetramethyl-N-phenyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-amine (CID 143983497) is N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-17-[(3E,5Z)-hepta-3,5-dien-3-yl]-8,8,14,14-tetramethyl-N-phenyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-amine.
What is the SMILES notation for N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-17-[(3E,5Z)-hepta-3,5-dien-3-yl]-8,8,14,14-tetramethyl-N-phenyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-amine?
The canonical SMILES for N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-17-[(3E,5Z)-hepta-3,5-dien-3-yl]-8,8,14,14-tetramethyl-N-phenyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-amine is C/C=C\C=C(/CC)c1cc2c3c(c1)c1cc(N(c4ccccc4)c4ccc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc4)cc4c1n3-c1c(cccc1C4(C)C)C2(C)C.
What is the InChIKey of N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-17-[(3E,5Z)-hepta-3,5-dien-3-yl]-8,8,14,14-tetramethyl-N-phenyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-amine?
The InChIKey is UKDJJMWTGSLPJL-XXNBJROWSA-N. The full InChI is InChI=1S/C58H52N2/c1-9-11-18-36(10-2)39-31-45-46-34-42(35-52-54(46)60-53(45)51(33-39)57(5,6)48-23-17-24-49(55(48)60)58(52,7)8)59(40-19-13-12-14-20-40)41-28-25-37(26-29-41)38-27-30-44-43-21-15-16-22-47(43)56(3,4)50(44)32-38/h9,11-35H,10H2,1-8H3/b11-9-,36-18+.
What are the key properties of N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-17-[(3E,5Z)-hepta-3,5-dien-3-yl]-8,8,14,14-tetramethyl-N-phenyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-amine?
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-17-[(3E,5Z)-hepta-3,5-dien-3-yl]-8,8,14,14-tetramethyl-N-phenyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-amine has a molecular weight of 777.07 g/mol, XLogP of 15.87, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-17-[(3E,5Z)-hepta-3,5-dien-3-yl]-8,8,14,14-tetramethyl-N-phenyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-amine is sourced from PubChem (CID 143983497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).