N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylspiro[pentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2,4,6,9,11,13,15,17,19,22,24-dodecaene-8,2'-tricyclo[5.3.1.03,11]undeca-1(10),3(11),4,6,8-pentaene]-6'-amine

C70H48N2 — CID 153308803

IUPACN-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylspiro[pentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2,4,6,9,11,13,15,17,19,22,24-dodecaene-8,2'-tricyclo[5.3.1.03,11]undeca-1(10),3(11),4,6,8-pentaene]-6'-amine
SMILESc1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4ccc5c6c(cccc46)C54c5ccccc5-c5ccccc5Cc5ccccc5-c5ccccc54)cc3)cc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C70H48N2/c1-3-23-53(24-4-1)71(67-36-17-22-50-19-7-12-29-59(50)67)55-41-37-48(38-42-55)49-39-43-56(44-40-49)72(54-25-5-2-6-26-54)68-46-45-66-69-62(68)32-18-35-65(69)70(66)63-33-15-13-30-60(63)57-27-10-8-20-51(57)47-52-21-9-11-28-58(52)61-31-14-16-34-64(61)70/h1-46H,47H2
InChIKeyKPINNZYAWINBOJ-UHFFFAOYSA-N
MW917.17 g/mol
LogP18.53
Rot. Bonds7

About N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylspiro[pentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2,4,6,9,11,13,15,17,19,22,24-dodecaene-8,2'-tricyclo[5.3.1.03,11]undeca-1(10),3(11),4,6,8-pentaene]-6'-amine

N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylspiro[pentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2,4,6,9,11,13,15,17,19,22,24-dodecaene-8,2'-tricyclo[5.3.1.03,11]undeca-1(10),3(11),4,6,8-pentaene]-6'-amine (PubChem CID 153308803) has the molecular formula C70H48N2 and a molecular weight of 917.17 g/mol. Its IUPAC name is N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylspiro[pentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2,4,6,9,11,13,15,17,19,22,24-dodecaene-8,2'-tricyclo[5.3.1.03,11]undeca-1(10),3(11),4,6,8-pentaene]-6'-amine.

Molecular Properties

Compound NameN-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylspiro[pentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2,4,6,9,11,13,15,17,19,22,24-dodecaene-8,2'-tricyclo[5.3.1.03,11]undeca-1(10),3(11),4,6,8-pentaene]-6'-amine
PubChem CID153308803
Molecular FormulaC70H48N2
Molecular Weight917.17 g/mol
Exact Mass916.38
IUPAC NameN-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylspiro[pentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2,4,6,9,11,13,15,17,19,22,24-dodecaene-8,2'-tricyclo[5.3.1.03,11]undeca-1(10),3(11),4,6,8-pentaene]-6'-amine
SMILESc1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4ccc5c6c(cccc46)C54c5ccccc5-c5ccccc5Cc5ccccc5-c5ccccc54)cc3)cc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C70H48N2/c1-3-23-53(24-4-1)71(67-36-17-22-50-19-7-12-29-59(50)67)55-41-37-48(38-42-55)49-39-43-56(44-40-49)72(54-25-5-2-6-26-54)68-46-45-66-69-62(68)32-18-35-65(69)70(66)63-33-15-13-30-60(63)57-27-10-8-20-51(57)47-52-21-9-11-28-58(52)61-31-14-16-34-64(61)70/h1-46H,47H2
InChIKeyKPINNZYAWINBOJ-UHFFFAOYSA-N
XLogP18.53
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500917.17
LogP ≤ 518.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylspiro[pentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2,4,6,9,11,13,15,17,19,22,24-dodecaene-8,2'-tricyclo[5.3.1.03,11]undeca-1(10),3(11),4,6,8-pentaene]-6'-amine with MolForge

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Related Compounds

methane;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;7-N'-phenyl-2-N',2-N'-bis(4-phenylphenyl)-7-N'-[4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2',7'-diamine;N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]naphthalen-1-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 162139097
N-(9H-fluoren-2-yl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-9H-fluoren-2-amine;N-[4-[4-[4-(4-methylphenyl)-N-[4-(4-methylphenyl)phenyl]anilino]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;2-N-naphthalen-1-yl-2-N-phenyl-7-N,7-N-bis(4-phenylphenyl)-9H-fluorene-2,7-diamine;1-N,1-N,4-N-triphenyl-4-N-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]benzene-1,4-diamine
CID 158984824
2-N'-naphthalen-1-yl-2-N,2-N'-diphenyl-2-N-(4-phenylphenyl)spiro[9H-indeno[1,2-a]indene-10,9'-fluorene]-2,2'-diamine
CID 134529801
2-N-naphthalen-1-yl-2-N-phenyl-7-N,7-N-bis(4-phenylphenyl)-9H-fluorene-2,7-diamine
CID 58661028
N-phenyl-N-(4-spiro[benzo[b]fluorene-11,9'-fluorene]-2'-ylphenyl)naphthalen-1-amine
CID 134215984
N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;2-N-naphthalen-1-yl-2-N-phenyl-7-N,7-N-bis(4-phenylphenyl)-9H-fluorene-2,7-diamine;2-N-naphthalen-1-yl-2-N,9,9-triphenyl-7-N,7-N-bis(4-phenylphenyl)fluorene-2,7-diamine
CID 159926574
4-N-naphthalen-1-yl-4-N-phenyl-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine;2-N-naphthalen-1-yl-2-N-phenyl-7-N,7-N-bis(4-phenylphenyl)-9H-fluorene-2,7-diamine;2-N-naphthalen-1-yl-2-N,9,9-triphenyl-7-N,7-N-bis(4-phenylphenyl)fluorene-2,7-diamine;1-N,1-N,4-N-triphenyl-4-N-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]benzene-1,4-diamine
CID 158884424
N,4-diphenyl-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;2-N-naphthalen-1-yl-2-N-phenyl-7-N,7-N-bis(4-phenylphenyl)-9H-fluorene-2,7-diamine;2-N-naphthalen-1-yl-2-N,9,9-triphenyl-7-N,7-N-bis(4-phenylphenyl)fluorene-2,7-diamine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 161371877
tetrakis(9,9-dimethylfluorene);ethane;N-ethyl-N,2-diphenylaniline;N-ethyl-N,4-diphenylaniline;pentakis(N-ethyl-N-phenylaniline);N-ethyl-N-phenylnaphthalen-1-amine;tetrakis(9H-fluorene)
CID 159080536
11-N',17-N'-dinaphthalen-1-yl-11-N',17-N'-diphenylspiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene]-11',17'-diamine
CID 130262417
N,N-diphenyl-4-spiro[9H-anthracene-10,9'-fluorene]-3'-ylnaphthalen-1-amine
CID 166906524
N-naphthalen-1-yl-N-(4-phenylphenyl)spiro[benzo[b]fluorene-11,9'-fluorene]-9-amine
CID 145144949

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylspiro[pentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2,4,6,9,11,13,15,17,19,22,24-dodecaene-8,2'-tricyclo[5.3.1.03,11]undeca-1(10),3(11),4,6,8-pentaene]-6'-amine?
The IUPAC name of N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylspiro[pentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2,4,6,9,11,13,15,17,19,22,24-dodecaene-8,2'-tricyclo[5.3.1.03,11]undeca-1(10),3(11),4,6,8-pentaene]-6'-amine (CID 153308803) is N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylspiro[pentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2,4,6,9,11,13,15,17,19,22,24-dodecaene-8,2'-tricyclo[5.3.1.03,11]undeca-1(10),3(11),4,6,8-pentaene]-6'-amine.
What is the SMILES notation for N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylspiro[pentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2,4,6,9,11,13,15,17,19,22,24-dodecaene-8,2'-tricyclo[5.3.1.03,11]undeca-1(10),3(11),4,6,8-pentaene]-6'-amine?
The canonical SMILES for N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylspiro[pentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2,4,6,9,11,13,15,17,19,22,24-dodecaene-8,2'-tricyclo[5.3.1.03,11]undeca-1(10),3(11),4,6,8-pentaene]-6'-amine is c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4ccc5c6c(cccc46)C54c5ccccc5-c5ccccc5Cc5ccccc5-c5ccccc54)cc3)cc2)c2cccc3ccccc23)cc1.
What is the InChIKey of N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylspiro[pentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2,4,6,9,11,13,15,17,19,22,24-dodecaene-8,2'-tricyclo[5.3.1.03,11]undeca-1(10),3(11),4,6,8-pentaene]-6'-amine?
The InChIKey is KPINNZYAWINBOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H48N2/c1-3-23-53(24-4-1)71(67-36-17-22-50-19-7-12-29-59(50)67)55-41-37-48(38-42-55)49-39-43-56(44-40-49)72(54-25-5-2-6-26-54)68-46-45-66-69-62(68)32-18-35-65(69)70(66)63-33-15-13-30-60(63)57-27-10-8-20-51(57)47-52-21-9-11-28-58(52)61-31-14-16-34-64(61)70/h1-46H,47H2.
What are the key properties of N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylspiro[pentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2,4,6,9,11,13,15,17,19,22,24-dodecaene-8,2'-tricyclo[5.3.1.03,11]undeca-1(10),3(11),4,6,8-pentaene]-6'-amine?
N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylspiro[pentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2,4,6,9,11,13,15,17,19,22,24-dodecaene-8,2'-tricyclo[5.3.1.03,11]undeca-1(10),3(11),4,6,8-pentaene]-6'-amine has a molecular weight of 917.17 g/mol, XLogP of 18.53, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylspiro[pentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2,4,6,9,11,13,15,17,19,22,24-dodecaene-8,2'-tricyclo[5.3.1.03,11]undeca-1(10),3(11),4,6,8-pentaene]-6'-amine is sourced from PubChem (CID 153308803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).