N-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-4-yl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-b][1]benzofuran-6-amine

C74H55NO — CID 171444535

IUPACN-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-4-yl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-b][1]benzofuran-6-amine
SMILESCC(C)(C)c1ccc2c(c1)C1(c3cc(C(C)(C)C)ccc3-2)c2ccccc2-c2c(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3cc4ccccc4c4c3oc3ccccc34)cccc21
InChIInChI=1S/C74H55NO/c1-71(2,3)45-34-37-52-53-38-35-46(72(4,5)6)42-63(53)74(62(52)41-45)60-30-17-12-25-55(60)69-61(74)31-19-32-65(69)75(66-40-44-20-7-8-21-48(44)68-56-26-13-18-33-67(56)76-70(66)68)47-36-39-54-51-24-11-16-29-59(51)73(64(54)43-47)57-27-14-9-22-49(57)50-23-10-15-28-58(50)73/h7-43H,1-6H3
InChIKeyNXZKMALPTAJAFX-UHFFFAOYSA-N
MW974.26 g/mol
LogP19.49
Rot. Bonds3

About N-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-4-yl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-b][1]benzofuran-6-amine

N-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-4-yl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-b][1]benzofuran-6-amine (PubChem CID 171444535) has the molecular formula C74H55NO and a molecular weight of 974.26 g/mol. Its IUPAC name is N-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-4-yl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-b][1]benzofuran-6-amine.

Molecular Properties

Compound NameN-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-4-yl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-b][1]benzofuran-6-amine
PubChem CID171444535
Molecular FormulaC74H55NO
Molecular Weight974.26 g/mol
Exact Mass973.43
IUPAC NameN-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-4-yl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-b][1]benzofuran-6-amine
SMILESCC(C)(C)c1ccc2c(c1)C1(c3cc(C(C)(C)C)ccc3-2)c2ccccc2-c2c(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3cc4ccccc4c4c3oc3ccccc34)cccc21
InChIInChI=1S/C74H55NO/c1-71(2,3)45-34-37-52-53-38-35-46(72(4,5)6)42-63(53)74(62(52)41-45)60-30-17-12-25-55(60)69-61(74)31-19-32-65(69)75(66-40-44-20-7-8-21-48(44)68-56-26-13-18-33-67(56)76-70(66)68)47-36-39-54-51-24-11-16-29-59(51)73(64(54)43-47)57-27-14-9-22-49(57)50-23-10-15-28-58(50)73/h7-43H,1-6H3
InChIKeyNXZKMALPTAJAFX-UHFFFAOYSA-N
XLogP19.49
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500974.26
LogP ≤ 519.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-4-yl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-b][1]benzofuran-6-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-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-4-yl)-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-6-amine
CID 171444554
2',7'-ditert-butyl-N-(2-dibenzofuran-4-ylphenyl)-N-(2',7'-ditert-butylspiro[fluorene-9,9'-xanthene]-4-yl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 174287074
2',7'-ditert-butyl-N-(2-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-4-amine
CID 174287009
2',7'-ditert-butyl-N-dibenzofuran-4-yl-N-(2,7-ditert-butylspiro[fluorene-9,9'-xanthene]-2'-yl)spiro[fluorene-9,9'-xanthene]-4-amine
CID 174287136
N-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-4-yl)-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-8-amine
CID 171730572
N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-b][1]benzofuran-6-amine
CID 171444490
14-N,14-N,24-N,24-N-tetrakis(4-tert-butylphenyl)spiro[12,26-dioxanonacyclo[18.15.0.02,18.04,16.05,13.06,11.022,34.025,33.027,32]pentatriaconta-1(20),2(18),3,5(13),6,8,10,14,16,21,23,25(33),27,29,31,34-hexadecaene-19,9'-fluorene]-14,24-diamine
CID 145353106
N-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-4-yl)-N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzofuran-3-amine
CID 177114266
N-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-yl)-N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzofuran-4-amine
CID 177114159
4-N-dibenzofuran-4-yl-2-N',2-N',4-N-triphenyl-9,9'-spirobi[fluorene]-2',4-diamine
CID 140915337
N-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-4-yl)-N-(9,9-dimethylfluoren-2-yl)naphtho[2,1-b][1]benzothiol-6-amine
CID 171444456
N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-6-amine
CID 156688425

Frequently Asked Questions

What is the IUPAC name of N-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-4-yl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-b][1]benzofuran-6-amine?
The IUPAC name of N-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-4-yl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-b][1]benzofuran-6-amine (CID 171444535) is N-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-4-yl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-b][1]benzofuran-6-amine.
What is the SMILES notation for N-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-4-yl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-b][1]benzofuran-6-amine?
The canonical SMILES for N-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-4-yl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-b][1]benzofuran-6-amine is CC(C)(C)c1ccc2c(c1)C1(c3cc(C(C)(C)C)ccc3-2)c2ccccc2-c2c(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3cc4ccccc4c4c3oc3ccccc34)cccc21.
What is the InChIKey of N-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-4-yl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-b][1]benzofuran-6-amine?
The InChIKey is NXZKMALPTAJAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H55NO/c1-71(2,3)45-34-37-52-53-38-35-46(72(4,5)6)42-63(53)74(62(52)41-45)60-30-17-12-25-55(60)69-61(74)31-19-32-65(69)75(66-40-44-20-7-8-21-48(44)68-56-26-13-18-33-67(56)76-70(66)68)47-36-39-54-51-24-11-16-29-59(51)73(64(54)43-47)57-27-14-9-22-49(57)50-23-10-15-28-58(50)73/h7-43H,1-6H3.
What are the key properties of N-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-4-yl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-b][1]benzofuran-6-amine?
N-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-4-yl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-b][1]benzofuran-6-amine has a molecular weight of 974.26 g/mol, XLogP of 19.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-4-yl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-b][1]benzofuran-6-amine is sourced from PubChem (CID 171444535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).