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

C46H32ClN — CID 155003548

IUPAC2'-chloro-N-(9,9-dimethylfluoren-2-yl)-N-phenyl-9,9'-spirobi[fluorene]-4'-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cc(Cl)cc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)cc21
InChIInChI=1S/C46H32ClN/c1-45(2)37-20-10-6-16-32(37)35-25-24-31(28-41(35)45)48(30-14-4-3-5-15-30)43-27-29(47)26-42-44(43)36-19-9-13-23-40(36)46(42)38-21-11-7-17-33(38)34-18-8-12-22-39(34)46/h3-28H,1-2H3
InChIKeyYHVMTVCNSSYVHU-UHFFFAOYSA-N
MW634.22 g/mol
LogP12.46
Rot. Bonds3

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

2'-chloro-N-(9,9-dimethylfluoren-2-yl)-N-phenyl-9,9'-spirobi[fluorene]-4'-amine (PubChem CID 155003548) has the molecular formula C46H32ClN and a molecular weight of 634.22 g/mol. Its IUPAC name is 2'-chloro-N-(9,9-dimethylfluoren-2-yl)-N-phenyl-9,9'-spirobi[fluorene]-4'-amine.

Molecular Properties

Compound Name2'-chloro-N-(9,9-dimethylfluoren-2-yl)-N-phenyl-9,9'-spirobi[fluorene]-4'-amine
PubChem CID155003548
Molecular FormulaC46H32ClN
Molecular Weight634.22 g/mol
Exact Mass633.22
IUPAC Name2'-chloro-N-(9,9-dimethylfluoren-2-yl)-N-phenyl-9,9'-spirobi[fluorene]-4'-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cc(Cl)cc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)cc21
InChIInChI=1S/C46H32ClN/c1-45(2)37-20-10-6-16-32(37)35-25-24-31(28-41(35)45)48(30-14-4-3-5-15-30)43-27-29(47)26-42-44(43)36-19-9-13-23-40(36)46(42)38-21-11-7-17-33(38)34-18-8-12-22-39(34)46/h3-28H,1-2H3
InChIKeyYHVMTVCNSSYVHU-UHFFFAOYSA-N
XLogP12.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.22
LogP ≤ 512.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-N,5-N-bis(9,9-dimethylfluoren-2-yl)-2-N,5-N-diphenyl-9,9'-spirobi[fluorene]-2,5-diamine
CID 137448787
7-chloro-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 154588610
2-N'-(9,9-dimethylfluoren-2-yl)-2-N',5-N,5-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-2',5-diamine
CID 168775359
N-(9,9-dimethylfluoren-2-yl)-12',12'-dimethyl-N,5'-diphenylspiro[fluorene-9,10'-indeno[2,1-b]fluorene]-8'-amine
CID 171401786
N-(9,9-dimethylfluoren-2-yl)-N-[4-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 167177057
N-(9,9-dimethylfluoren-2-yl)-N-[3-phenyl-4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 129267147
N-(9,9-dimethylfluoren-2-yl)-4'-phenyl-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129258991
N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 166825049
N-[4-[2-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 121298487
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-4-yl)-9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-amine
CID 142480849
2-N,4-N-bis(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-2-N,4-N-diphenylfluorene-2,4-diamine
CID 170410184
N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 146247477

Frequently Asked Questions

What is the IUPAC name of 2'-chloro-N-(9,9-dimethylfluoren-2-yl)-N-phenyl-9,9'-spirobi[fluorene]-4'-amine?
The IUPAC name of 2'-chloro-N-(9,9-dimethylfluoren-2-yl)-N-phenyl-9,9'-spirobi[fluorene]-4'-amine (CID 155003548) is 2'-chloro-N-(9,9-dimethylfluoren-2-yl)-N-phenyl-9,9'-spirobi[fluorene]-4'-amine.
What is the SMILES notation for 2'-chloro-N-(9,9-dimethylfluoren-2-yl)-N-phenyl-9,9'-spirobi[fluorene]-4'-amine?
The canonical SMILES for 2'-chloro-N-(9,9-dimethylfluoren-2-yl)-N-phenyl-9,9'-spirobi[fluorene]-4'-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cc(Cl)cc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)cc21.
What is the InChIKey of 2'-chloro-N-(9,9-dimethylfluoren-2-yl)-N-phenyl-9,9'-spirobi[fluorene]-4'-amine?
The InChIKey is YHVMTVCNSSYVHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H32ClN/c1-45(2)37-20-10-6-16-32(37)35-25-24-31(28-41(35)45)48(30-14-4-3-5-15-30)43-27-29(47)26-42-44(43)36-19-9-13-23-40(36)46(42)38-21-11-7-17-33(38)34-18-8-12-22-39(34)46/h3-28H,1-2H3.
What are the key properties of 2'-chloro-N-(9,9-dimethylfluoren-2-yl)-N-phenyl-9,9'-spirobi[fluorene]-4'-amine?
2'-chloro-N-(9,9-dimethylfluoren-2-yl)-N-phenyl-9,9'-spirobi[fluorene]-4'-amine has a molecular weight of 634.22 g/mol, XLogP of 12.46, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-chloro-N-(9,9-dimethylfluoren-2-yl)-N-phenyl-9,9'-spirobi[fluorene]-4'-amine is sourced from PubChem (CID 155003548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).