9',16'-ditert-butyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,12'-pentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaene]-4-amine

C65H53N — CID 146311398

IUPAC9',16'-ditert-butyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,12'-pentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaene]-4-amine
SMILESCC(C)(C)c1cc2c(c3ccccc13)-c1cccc3c(C(C)(C)C)ccc(c13)C21c2ccccc2-c2c(N(c3ccc(-c4ccccc4)cc3)c3ccccc3-c3ccccc3)cccc21
InChIInChI=1S/C65H53N/c1-63(2,3)52-39-40-55-61-49(52)29-19-30-51(61)60-48-27-14-13-26-47(48)56(64(4,5)6)41-57(60)65(55)53-31-17-15-28-50(53)62-54(65)32-20-34-59(62)66(45-37-35-43(36-38-45)42-21-9-7-10-22-42)58-33-18-16-25-46(58)44-23-11-8-12-24-44/h7-41H,1-6H3
InChIKeyTZEOGNDZVUJYSA-UHFFFAOYSA-N
MW848.15 g/mol
LogP17.74
Rot. Bonds5

About 9',16'-ditert-butyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,12'-pentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaene]-4-amine

9',16'-ditert-butyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,12'-pentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaene]-4-amine (PubChem CID 146311398) has the molecular formula C65H53N and a molecular weight of 848.15 g/mol. Its IUPAC name is 9',16'-ditert-butyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,12'-pentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaene]-4-amine.

Molecular Properties

Compound Name9',16'-ditert-butyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,12'-pentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaene]-4-amine
PubChem CID146311398
Molecular FormulaC65H53N
Molecular Weight848.15 g/mol
Exact Mass847.42
IUPAC Name9',16'-ditert-butyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,12'-pentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaene]-4-amine
SMILESCC(C)(C)c1cc2c(c3ccccc13)-c1cccc3c(C(C)(C)C)ccc(c13)C21c2ccccc2-c2c(N(c3ccc(-c4ccccc4)cc3)c3ccccc3-c3ccccc3)cccc21
InChIInChI=1S/C65H53N/c1-63(2,3)52-39-40-55-61-49(52)29-19-30-51(61)60-48-27-14-13-26-47(48)56(64(4,5)6)41-57(60)65(55)53-31-17-15-28-50(53)62-54(65)32-20-34-59(62)66(45-37-35-43(36-38-45)42-21-9-7-10-22-42)58-33-18-16-25-46(58)44-23-11-8-12-24-44/h7-41H,1-6H3
InChIKeyTZEOGNDZVUJYSA-UHFFFAOYSA-N
XLogP17.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500848.15
LogP ≤ 517.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 9',16'-ditert-butyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,12'-pentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaene]-4-amine with MolForge

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Related Compounds

9',18'-ditert-butyl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,12'-pentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-2-amine
CID 146311429
2',7'-ditert-butyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 174159235
2'-[4-(N-phenylanilino)phenyl]-N-(2-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 140915456
N-(2-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 167177911
4-N-phenyl-3-N'-(2-phenylphenyl)-4-N-(3-phenylphenyl)-3-N'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3',4-diamine
CID 167176826
N-(9,9-diphenylfluoren-3-yl)-N-[2-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 121423691
CID 118153763
CID 118153763
N-[2-(4-naphthalen-1-ylphenyl)phenyl]-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 169019810
3-N',3-N',5-N-triphenyl-5-N-(2-phenylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]-3',5-diamine
CID 168775239
N,10-diphenyl-N-[2-(4-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-4'-amine
CID 135166793
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 90294621
9,9-dimethyl-N,N-bis(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-amine
CID 142481166

Frequently Asked Questions

What is the IUPAC name of 9',16'-ditert-butyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,12'-pentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaene]-4-amine?
The IUPAC name of 9',16'-ditert-butyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,12'-pentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaene]-4-amine (CID 146311398) is 9',16'-ditert-butyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,12'-pentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaene]-4-amine.
What is the SMILES notation for 9',16'-ditert-butyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,12'-pentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaene]-4-amine?
The canonical SMILES for 9',16'-ditert-butyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,12'-pentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaene]-4-amine is CC(C)(C)c1cc2c(c3ccccc13)-c1cccc3c(C(C)(C)C)ccc(c13)C21c2ccccc2-c2c(N(c3ccc(-c4ccccc4)cc3)c3ccccc3-c3ccccc3)cccc21.
What is the InChIKey of 9',16'-ditert-butyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,12'-pentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaene]-4-amine?
The InChIKey is TZEOGNDZVUJYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H53N/c1-63(2,3)52-39-40-55-61-49(52)29-19-30-51(61)60-48-27-14-13-26-47(48)56(64(4,5)6)41-57(60)65(55)53-31-17-15-28-50(53)62-54(65)32-20-34-59(62)66(45-37-35-43(36-38-45)42-21-9-7-10-22-42)58-33-18-16-25-46(58)44-23-11-8-12-24-44/h7-41H,1-6H3.
What are the key properties of 9',16'-ditert-butyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,12'-pentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaene]-4-amine?
9',16'-ditert-butyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,12'-pentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaene]-4-amine has a molecular weight of 848.15 g/mol, XLogP of 17.74, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9',16'-ditert-butyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,12'-pentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaene]-4-amine is sourced from PubChem (CID 146311398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).