N-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-26-selena-14-azaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaen-11-amine

C61H36N2Se — CID 171416682

IUPACN-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-26-selena-14-azaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaen-11-amine
SMILESc1ccc(-c2cccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3cc4[se]c5cccc6c7cccc8c9ccccc9n(c(c3)c4c56)c78)c2)cc1
InChIInChI=1S/C61H36N2Se/c1-2-15-37(16-3-1)38-17-12-18-39(33-38)62(40-31-32-45-44-21-6-10-28-52(44)61(53(45)34-40)50-26-8-4-19-42(50)43-20-5-9-27-51(43)61)41-35-55-59-57(36-41)64-56-30-14-23-47(58(56)59)49-25-13-24-48-46-22-7-11-29-54(46)63(55)60(48)49/h1-36H
InChIKeySYPOWPZEZJIKQU-UHFFFAOYSA-N
MW875.93 g/mol
LogP15.68
Rot. Bonds4

About N-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-26-selena-14-azaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaen-11-amine

N-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-26-selena-14-azaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaen-11-amine (PubChem CID 171416682) has the molecular formula C61H36N2Se and a molecular weight of 875.93 g/mol. Its IUPAC name is N-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-26-selena-14-azaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaen-11-amine.

Molecular Properties

Compound NameN-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-26-selena-14-azaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaen-11-amine
PubChem CID171416682
Molecular FormulaC61H36N2Se
Molecular Weight875.93 g/mol
Exact Mass876.20
IUPAC NameN-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-26-selena-14-azaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaen-11-amine
SMILESc1ccc(-c2cccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3cc4[se]c5cccc6c7cccc8c9ccccc9n(c(c3)c4c56)c78)c2)cc1
InChIInChI=1S/C61H36N2Se/c1-2-15-37(16-3-1)38-17-12-18-39(33-38)62(40-31-32-45-44-21-6-10-28-52(44)61(53(45)34-40)50-26-8-4-19-42(50)43-20-5-9-27-51(43)61)41-35-55-59-57(36-41)64-56-30-14-23-47(58(56)59)49-25-13-24-48-46-22-7-11-29-54(46)63(55)60(48)49/h1-36H
InChIKeySYPOWPZEZJIKQU-UHFFFAOYSA-N
XLogP15.68
TPSA7.65 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500875.93
LogP ≤ 515.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-26-selena-14-azaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaen-11-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118180091
9-phenyl-N-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-2-amine
CID 90124613
2-N'-[4-[4-[3-[4-(N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenylanilino)phenyl]phenyl]phenyl]phenyl]-7-N'-phenyl-2-N'-(4-phenylphenyl)-7-N'-[4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2',7'-diamine
CID 167023334
N-[4-(4-phenylphenyl)phenyl]-N-(4-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'-fluorene]-2'-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 135168601
N-(4-naphthalen-1-ylphenyl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 170421393
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-1-azahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8,10,12(22),13,15,17(23),18,20-undecaen-5-amine
CID 164839349
1-N,3-N-diphenyl-1-N,3-N-bis(4-phenylphenyl)-5-[2'-(N-(4-phenylphenyl)anilino)-9,9'-spirobi[fluorene]-2-yl]benzene-1,3-diamine
CID 121361274
N-(9,9-dimethyl-7-phenylfluoren-2-yl)-N-(3-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-17-amine
CID 167176362
N-phenyl-N-[4-(4-phenylphenyl)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-4-amine
CID 118179927
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethyl-7-phenylfluoren-2-yl)-8,15-diazaheptacyclo[13.9.2.02,7.08,25.09,14.016,21.022,26]hexacosa-1(25),2,4,6,9(14),10,12,16,18,20,22(26),23-dodecaen-11-amine
CID 170281051
2-N,2-N,2-N'-tris(4-phenylphenyl)-2-N'-[4-[3-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2,2'-diamine
CID 138662093
3-(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)-N-phenyl-N-(4-phenylphenyl)aniline
CID 138747385

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-26-selena-14-azaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaen-11-amine?
The IUPAC name of N-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-26-selena-14-azaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaen-11-amine (CID 171416682) is N-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-26-selena-14-azaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaen-11-amine.
What is the SMILES notation for N-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-26-selena-14-azaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaen-11-amine?
The canonical SMILES for N-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-26-selena-14-azaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaen-11-amine is c1ccc(-c2cccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3cc4[se]c5cccc6c7cccc8c9ccccc9n(c(c3)c4c56)c78)c2)cc1.
What is the InChIKey of N-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-26-selena-14-azaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaen-11-amine?
The InChIKey is SYPOWPZEZJIKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H36N2Se/c1-2-15-37(16-3-1)38-17-12-18-39(33-38)62(40-31-32-45-44-21-6-10-28-52(44)61(53(45)34-40)50-26-8-4-19-42(50)43-20-5-9-27-51(43)61)41-35-55-59-57(36-41)64-56-30-14-23-47(58(56)59)49-25-13-24-48-46-22-7-11-29-54(46)63(55)60(48)49/h1-36H.
What are the key properties of N-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-26-selena-14-azaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaen-11-amine?
N-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-26-selena-14-azaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaen-11-amine has a molecular weight of 875.93 g/mol, XLogP of 15.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-26-selena-14-azaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaen-11-amine is sourced from PubChem (CID 171416682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).