N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine

C70H49N — CID 168791038

IUPACN-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
SMILESCC1(C)c2ccccc2-c2cc(-c3ccc(N(c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)c4cccc(-c5ccccc5)c4-c4ccccc4-c4ccccc4)cc3)ccc21
InChIInChI=1S/C70H49N/c1-69(2)61-31-15-11-28-57(61)60-44-49(38-43-62(60)69)46-36-39-50(40-37-46)71(67-35-19-30-53(48-22-7-4-8-23-48)68(67)59-29-10-9-24-52(59)47-20-5-3-6-21-47)51-41-42-58-56-27-14-18-34-65(56)70(66(58)45-51)63-32-16-12-25-54(63)55-26-13-17-33-64(55)70/h3-45H,1-2H3
InChIKeyKDUNYVUJMPPOJJ-UHFFFAOYSA-N
MW904.17 g/mol
LogP18.47
Rot. Bonds7

About N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine

N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine (PubChem CID 168791038) has the molecular formula C70H49N and a molecular weight of 904.17 g/mol. Its IUPAC name is N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

Compound NameN-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
PubChem CID168791038
Molecular FormulaC70H49N
Molecular Weight904.17 g/mol
Exact Mass903.39
IUPAC NameN-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
SMILESCC1(C)c2ccccc2-c2cc(-c3ccc(N(c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)c4cccc(-c5ccccc5)c4-c4ccccc4-c4ccccc4)cc3)ccc21
InChIInChI=1S/C70H49N/c1-69(2)61-31-15-11-28-57(61)60-44-49(38-43-62(60)69)46-36-39-50(40-37-46)71(67-35-19-30-53(48-22-7-4-8-23-48)68(67)59-29-10-9-24-52(59)47-20-5-3-6-21-47)51-41-42-58-56-27-14-18-34-65(56)70(66(58)45-51)63-32-16-12-25-54(63)55-26-13-17-33-64(55)70/h3-45H,1-2H3
InChIKeyKDUNYVUJMPPOJJ-UHFFFAOYSA-N
XLogP18.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500904.17
LogP ≤ 518.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 168788412
N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-3-phenyl-2-(2-phenylphenyl)-N-(3-phenylphenyl)aniline
CID 168789981
N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-3-phenyl-2-(2-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 168789629
9,9-dimethyl-N-(4-phenylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 167285492
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 168788568
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-3-phenyl-2-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 168788736
N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-diphenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-4-amine
CID 168790005
N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-3-amine
CID 168789950
N-[3-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 168788809
N-[2-(9,9-dimethylfluoren-3-yl)-3-phenylphenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 167293184
9,9-dimethyl-N-[2-(4-phenylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-3-amine
CID 168790837
N-[2-(4-phenylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 168789323

Frequently Asked Questions

What is the IUPAC name of N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine?
The IUPAC name of N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine (CID 168791038) is N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine.
What is the SMILES notation for N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine?
The canonical SMILES for N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine is CC1(C)c2ccccc2-c2cc(-c3ccc(N(c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)c4cccc(-c5ccccc5)c4-c4ccccc4-c4ccccc4)cc3)ccc21.
What is the InChIKey of N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine?
The InChIKey is KDUNYVUJMPPOJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H49N/c1-69(2)61-31-15-11-28-57(61)60-44-49(38-43-62(60)69)46-36-39-50(40-37-46)71(67-35-19-30-53(48-22-7-4-8-23-48)68(67)59-29-10-9-24-52(59)47-20-5-3-6-21-47)51-41-42-58-56-27-14-18-34-65(56)70(66(58)45-51)63-32-16-12-25-54(63)55-26-13-17-33-64(55)70/h3-45H,1-2H3.
What are the key properties of N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine?
N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine has a molecular weight of 904.17 g/mol, XLogP of 18.47, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 168791038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).