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

C69H55N — CID 146311429

IUPAC9',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
SMILESCC(C)(C)c1cc2c(c3ccccc13)-c1ccc(C(C)(C)C)c3cccc(c13)C21c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5ccccc5c4)cc3)cc21
InChIInChI=1S/C69H55N/c1-67(2,3)59-40-39-58-65-56-23-13-12-22-54(56)62(68(4,5)6)43-64(65)69(61-26-16-24-57(59)66(58)61)60-25-15-14-21-53(60)55-38-37-52(42-63(55)69)70(50-33-29-46(30-34-50)44-17-8-7-9-18-44)51-35-31-47(32-36-51)49-28-27-45-19-10-11-20-48(45)41-49/h7-43H,1-6H3
InChIKeyKMPYCZDPZNGIIH-UHFFFAOYSA-N
MW898.21 g/mol
LogP18.89
Rot. Bonds5

About 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

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 (PubChem CID 146311429) has the molecular formula C69H55N and a molecular weight of 898.21 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9',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
PubChem CID146311429
Molecular FormulaC69H55N
Molecular Weight898.21 g/mol
Exact Mass897.43
IUPAC Name9',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
SMILESCC(C)(C)c1cc2c(c3ccccc13)-c1ccc(C(C)(C)C)c3cccc(c13)C21c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5ccccc5c4)cc3)cc21
InChIInChI=1S/C69H55N/c1-67(2,3)59-40-39-58-65-56-23-13-12-22-54(56)62(68(4,5)6)43-64(65)69(61-26-16-24-57(59)66(58)61)60-25-15-14-21-53(60)55-38-37-52(42-63(55)69)70(50-33-29-46(30-34-50)44-17-8-7-9-18-44)51-35-31-47(32-36-51)49-28-27-45-19-10-11-20-48(45)41-49/h7-43H,1-6H3
InChIKeyKMPYCZDPZNGIIH-UHFFFAOYSA-N
XLogP18.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500898.21
LogP ≤ 518.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 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 with MolForge

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Related Compounds

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
N-(4-anthracen-9-ylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N,N-bis[4-(4-methylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N,N-bis(4-naphthalen-2-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 167625176
N-naphthalen-2-yl-N-(4-phenylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]-2'-amine
CID 134216072
N-naphthalen-2-yl-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-fluorene]-9-amine
CID 134193952
1-N,4-N-diphenyl-4-N-[4-(10-phenylanthracen-9-yl)phenyl]-1-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]benzene-1,4-diamine;1-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-1-N,4-N-diphenyl-4-N-[4-(10-phenylanthracen-9-yl)phenyl]benzene-1,4-diamine;1-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-1-N,4-N-diphenyl-4-N-[4-(10-phenylanthracen-9-yl)phenyl]benzene-1,4-diamine
CID 158431824
N-(3-phenylphenyl)-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-fluorene]-9-amine
CID 134193960
N-(4-naphthalen-2-ylphenyl)-N-[3-phenyl-4-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 122470393
N,N-bis(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-fluorene]-9-amine
CID 134193953
N-(4-naphthalen-2-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine
CID 146540100
N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 166566308
N-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 118298615
N-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 167176670

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)c1cc2c(c3ccccc13)-c1ccc(C(C)(C)C)c3cccc(c13)C21c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5ccccc5c4)cc3)cc21.
What is the InChIKey of 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?
The InChIKey is KMPYCZDPZNGIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H55N/c1-67(2,3)59-40-39-58-65-56-23-13-12-22-54(56)62(68(4,5)6)43-64(65)69(61-26-16-24-57(59)66(58)61)60-25-15-14-21-53(60)55-38-37-52(42-63(55)69)70(50-33-29-46(30-34-50)44-17-8-7-9-18-44)51-35-31-47(32-36-51)49-28-27-45-19-10-11-20-48(45)41-49/h7-43H,1-6H3.
What are the key properties of 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?
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 has a molecular weight of 898.21 g/mol, XLogP of 18.89, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 146311429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).