N-(9,9-dimethylfluoren-3-yl)-N-[4-(9H-fluoren-4-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-3-amine

C52H36N2 — CID 147271984

IUPACN-(9,9-dimethylfluoren-3-yl)-N-[4-(9H-fluoren-4-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-3-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc(-c4cccc5c4-c4ccccc4C5)cc3)c3cccc4c5cccc6c7ccccc7n(c34)c65)ccc21
InChIInChI=1S/C52H36N2/c1-52(2)45-21-7-5-15-39(45)44-31-36(28-29-46(44)52)53(35-26-24-32(25-27-35)37-17-9-13-34-30-33-12-3-4-14-38(33)49(34)37)48-23-11-20-43-42-19-10-18-41-40-16-6-8-22-47(40)54(50(41)42)51(43)48/h3-29,31H,30H2,1-2H3
InChIKeyCQPMITXFCUIZDF-UHFFFAOYSA-N
MW688.87 g/mol
LogP13.85
Rot. Bonds4

About N-(9,9-dimethylfluoren-3-yl)-N-[4-(9H-fluoren-4-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-3-amine

N-(9,9-dimethylfluoren-3-yl)-N-[4-(9H-fluoren-4-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-3-amine (PubChem CID 147271984) has the molecular formula C52H36N2 and a molecular weight of 688.87 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-3-yl)-N-[4-(9H-fluoren-4-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-3-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-3-yl)-N-[4-(9H-fluoren-4-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-3-amine
PubChem CID147271984
Molecular FormulaC52H36N2
Molecular Weight688.87 g/mol
Exact Mass688.29
IUPAC NameN-(9,9-dimethylfluoren-3-yl)-N-[4-(9H-fluoren-4-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-3-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc(-c4cccc5c4-c4ccccc4C5)cc3)c3cccc4c5cccc6c7ccccc7n(c34)c65)ccc21
InChIInChI=1S/C52H36N2/c1-52(2)45-21-7-5-15-39(45)44-31-36(28-29-46(44)52)53(35-26-24-32(25-27-35)37-17-9-13-34-30-33-12-3-4-14-38(33)49(34)37)48-23-11-20-43-42-19-10-18-41-40-16-6-8-22-47(40)54(50(41)42)51(43)48/h3-29,31H,30H2,1-2H3
InChIKeyCQPMITXFCUIZDF-UHFFFAOYSA-N
XLogP13.85
TPSA7.65 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.87
LogP ≤ 513.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(9,9-dimethylfluoren-3-yl)-N-[4-(9H-fluoren-4-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-3-amine with MolForge

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Related Compounds

N-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-6-amine
CID 145354326
9,9-dimethyl-N-[4-(3-pentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2(7),3,5,9,11,13,15,17,19,22,24-dodecaenyl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 166881122
N-(9,9-dimethylfluoren-3-yl)-N-(3,5-diphenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-6-amine
CID 145354496
N-(9,9-dimethylfluoren-3-yl)-N,9-diphenylcarbazol-1-amine
CID 155004339
8-N,23-N-bis(9,9-dimethylfluoren-3-yl)-8-N,23-N-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine
CID 138745094
N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]carbazol-1-amine
CID 170119634
N-[4-[3-ethenyl-2-[(Z)-prop-1-enyl]-1-benzofuran-6-yl]phenyl]-N-(9H-fluoren-3-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-3-amine
CID 145354713
9,9-dimethyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-3-amine
CID 168790396
8-N,23-N-bis(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-8-N,23-N,3,18-tetraphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;8-N,23-N-bis(9,9-dimethylfluoren-3-yl)-8-N,23-N,3,18-tetraphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;8-N,23-N-di(dibenzothiophen-4-yl)-8-N,23-N,3,18-tetraphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine
CID 162139648
N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-3-amine
CID 167286124
9,9-dimethyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 168790284
3-(9,9-dimethylfluoren-2-yl)-N-(3,4-diphenylphenyl)-2-phenyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]aniline
CID 170666044

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-3-yl)-N-[4-(9H-fluoren-4-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-3-amine?
The IUPAC name of N-(9,9-dimethylfluoren-3-yl)-N-[4-(9H-fluoren-4-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-3-amine (CID 147271984) is N-(9,9-dimethylfluoren-3-yl)-N-[4-(9H-fluoren-4-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-3-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-3-yl)-N-[4-(9H-fluoren-4-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-3-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-3-yl)-N-[4-(9H-fluoren-4-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-3-amine is CC1(C)c2ccccc2-c2cc(N(c3ccc(-c4cccc5c4-c4ccccc4C5)cc3)c3cccc4c5cccc6c7ccccc7n(c34)c65)ccc21.
What is the InChIKey of N-(9,9-dimethylfluoren-3-yl)-N-[4-(9H-fluoren-4-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-3-amine?
The InChIKey is CQPMITXFCUIZDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H36N2/c1-52(2)45-21-7-5-15-39(45)44-31-36(28-29-46(44)52)53(35-26-24-32(25-27-35)37-17-9-13-34-30-33-12-3-4-14-38(33)49(34)37)48-23-11-20-43-42-19-10-18-41-40-16-6-8-22-47(40)54(50(41)42)51(43)48/h3-29,31H,30H2,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-3-yl)-N-[4-(9H-fluoren-4-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-3-amine?
N-(9,9-dimethylfluoren-3-yl)-N-[4-(9H-fluoren-4-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-3-amine has a molecular weight of 688.87 g/mol, XLogP of 13.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-3-yl)-N-[4-(9H-fluoren-4-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-3-amine is sourced from PubChem (CID 147271984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).