2-N-[4-(1,3-benzoxazol-2-yl)phenyl]-7-N-[4-(4-ethyl-4H-chromen-2-yl)phenyl]-9,9-dimethyl-2-N,7-N-bis(4-phenylphenyl)-4a,9a-dihydrofluorene-2,7-diamine

C69H55N3O2 — CID 170267530

IUPAC2-N-[4-(1,3-benzoxazol-2-yl)phenyl]-7-N-[4-(4-ethyl-4H-chromen-2-yl)phenyl]-9,9-dimethyl-2-N,7-N-bis(4-phenylphenyl)-4a,9a-dihydrofluorene-2,7-diamine
SMILESCCC1C=C(c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C(C)(C)C3C=C(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6nc7ccccc7o6)cc5)C=CC43)cc2)Oc2ccccc21
InChIInChI=1S/C69H55N3O2/c1-4-46-43-67(73-65-21-13-11-19-59(46)65)51-27-35-55(36-28-51)71(53-31-23-49(24-32-53)47-15-7-5-8-16-47)57-39-41-60-61-42-40-58(45-63(61)69(2,3)62(60)44-57)72(54-33-25-50(26-34-54)48-17-9-6-10-18-48)56-37-29-52(30-38-56)68-70-64-20-12-14-22-66(64)74-68/h5-46,61,63H,4H2,1-3H3
InChIKeyONVQVHQYAPEQDK-UHFFFAOYSA-N
MW958.22 g/mol
LogP18.51
Rot. Bonds11

About 2-N-[4-(1,3-benzoxazol-2-yl)phenyl]-7-N-[4-(4-ethyl-4H-chromen-2-yl)phenyl]-9,9-dimethyl-2-N,7-N-bis(4-phenylphenyl)-4a,9a-dihydrofluorene-2,7-diamine

2-N-[4-(1,3-benzoxazol-2-yl)phenyl]-7-N-[4-(4-ethyl-4H-chromen-2-yl)phenyl]-9,9-dimethyl-2-N,7-N-bis(4-phenylphenyl)-4a,9a-dihydrofluorene-2,7-diamine (PubChem CID 170267530) has the molecular formula C69H55N3O2 and a molecular weight of 958.22 g/mol. Its IUPAC name is 2-N-[4-(1,3-benzoxazol-2-yl)phenyl]-7-N-[4-(4-ethyl-4H-chromen-2-yl)phenyl]-9,9-dimethyl-2-N,7-N-bis(4-phenylphenyl)-4a,9a-dihydrofluorene-2,7-diamine.

Molecular Properties

Compound Name2-N-[4-(1,3-benzoxazol-2-yl)phenyl]-7-N-[4-(4-ethyl-4H-chromen-2-yl)phenyl]-9,9-dimethyl-2-N,7-N-bis(4-phenylphenyl)-4a,9a-dihydrofluorene-2,7-diamine
PubChem CID170267530
Molecular FormulaC69H55N3O2
Molecular Weight958.22 g/mol
Exact Mass957.43
IUPAC Name2-N-[4-(1,3-benzoxazol-2-yl)phenyl]-7-N-[4-(4-ethyl-4H-chromen-2-yl)phenyl]-9,9-dimethyl-2-N,7-N-bis(4-phenylphenyl)-4a,9a-dihydrofluorene-2,7-diamine
SMILESCCC1C=C(c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C(C)(C)C3C=C(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6nc7ccccc7o6)cc5)C=CC43)cc2)Oc2ccccc21
InChIInChI=1S/C69H55N3O2/c1-4-46-43-67(73-65-21-13-11-19-59(46)65)51-27-35-55(36-28-51)71(53-31-23-49(24-32-53)47-15-7-5-8-16-47)57-39-41-60-61-42-40-58(45-63(61)69(2,3)62(60)44-57)72(54-33-25-50(26-34-54)48-17-9-6-10-18-48)56-37-29-52(30-38-56)68-70-64-20-12-14-22-66(64)74-68/h5-46,61,63H,4H2,1-3H3
InChIKeyONVQVHQYAPEQDK-UHFFFAOYSA-N
XLogP18.51
TPSA41.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500958.22
LogP ≤ 518.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-N-[4-(1,3-benzoxazol-2-yl)phenyl]-7-N-[4-(4-ethyl-4H-chromen-2-yl)phenyl]-9,9-dimethyl-2-N,7-N-bis(4-phenylphenyl)-4a,9a-dihydrofluorene-2,7-diamine with MolForge

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Related Compounds

2-N,7-N-bis[3-(1,3-benzoxazol-2-yl)phenyl]-9,9-dimethyl-2-N,7-N-bis(4-phenylphenyl)fluorene-2,7-diamine
CID 155473375
N-[4-(1,3-benzoxazol-2-yl)phenyl]-7-[4-[4-(1,3-benzoxazol-2-yl)-N-(3-phenylphenyl)anilino]phenyl]-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine
CID 155473483
N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 155402925
4-[8-[(8aR)-9,9-dimethyl-4b,8a-dihydrofluoren-2-yl]-5-(9,9-dimethylfluoren-2-yl)-3-phenylquinoxalin-2-yl]-N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-phenylaniline
CID 89177130
2-N,7-N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-9,9-dimethyl-2-N,7-N-diphenylfluorene-2,7-diamine
CID 155473406
7-[4-[4-(1,3-benzoxazol-2-yl)-N-naphthalen-2-ylanilino]phenyl]-N-[4-(1,3-benzoxazol-2-yl)phenyl]-9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine
CID 155473486
N-[4-[4-[4-(1,3-benzoxazol-2-yl)-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-amine;N-[4-[4-[4-[4-(1,3-benzoxazol-2-yl)-N-naphthalen-2-ylanilino]phenyl]phenyl]phenyl]-N-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-2-amine;4-[4-(1,3-benzoxazol-2-yl)phenyl]-N-[4-[4-(N-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 159976801
N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-[4-(N-[4-(1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]-N-phenylaniline
CID 59707538
2-N,7-N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-9,9-diphenyl-2-N,7-N-bis(4-phenylphenyl)fluorene-2,7-diamine
CID 155473478
N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 166820061
N-phenyl-N-(4-phenylphenyl)-2-[4-(N-(4-phenylphenyl)anilino)phenyl]-1,3-benzoxazol-5-amine
CID 153395125
9,9-dimethyl-N-[4-(2-phenylbenzo[g][1,3]benzoxazol-6-yl)phenyl]-N-(4-phenylphenyl)-4b,8a-dihydrofluoren-3-amine
CID 170424688

Frequently Asked Questions

What is the IUPAC name of 2-N-[4-(1,3-benzoxazol-2-yl)phenyl]-7-N-[4-(4-ethyl-4H-chromen-2-yl)phenyl]-9,9-dimethyl-2-N,7-N-bis(4-phenylphenyl)-4a,9a-dihydrofluorene-2,7-diamine?
The IUPAC name of 2-N-[4-(1,3-benzoxazol-2-yl)phenyl]-7-N-[4-(4-ethyl-4H-chromen-2-yl)phenyl]-9,9-dimethyl-2-N,7-N-bis(4-phenylphenyl)-4a,9a-dihydrofluorene-2,7-diamine (CID 170267530) is 2-N-[4-(1,3-benzoxazol-2-yl)phenyl]-7-N-[4-(4-ethyl-4H-chromen-2-yl)phenyl]-9,9-dimethyl-2-N,7-N-bis(4-phenylphenyl)-4a,9a-dihydrofluorene-2,7-diamine.
What is the SMILES notation for 2-N-[4-(1,3-benzoxazol-2-yl)phenyl]-7-N-[4-(4-ethyl-4H-chromen-2-yl)phenyl]-9,9-dimethyl-2-N,7-N-bis(4-phenylphenyl)-4a,9a-dihydrofluorene-2,7-diamine?
The canonical SMILES for 2-N-[4-(1,3-benzoxazol-2-yl)phenyl]-7-N-[4-(4-ethyl-4H-chromen-2-yl)phenyl]-9,9-dimethyl-2-N,7-N-bis(4-phenylphenyl)-4a,9a-dihydrofluorene-2,7-diamine is CCC1C=C(c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C(C)(C)C3C=C(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6nc7ccccc7o6)cc5)C=CC43)cc2)Oc2ccccc21.
What is the InChIKey of 2-N-[4-(1,3-benzoxazol-2-yl)phenyl]-7-N-[4-(4-ethyl-4H-chromen-2-yl)phenyl]-9,9-dimethyl-2-N,7-N-bis(4-phenylphenyl)-4a,9a-dihydrofluorene-2,7-diamine?
The InChIKey is ONVQVHQYAPEQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H55N3O2/c1-4-46-43-67(73-65-21-13-11-19-59(46)65)51-27-35-55(36-28-51)71(53-31-23-49(24-32-53)47-15-7-5-8-16-47)57-39-41-60-61-42-40-58(45-63(61)69(2,3)62(60)44-57)72(54-33-25-50(26-34-54)48-17-9-6-10-18-48)56-37-29-52(30-38-56)68-70-64-20-12-14-22-66(64)74-68/h5-46,61,63H,4H2,1-3H3.
What are the key properties of 2-N-[4-(1,3-benzoxazol-2-yl)phenyl]-7-N-[4-(4-ethyl-4H-chromen-2-yl)phenyl]-9,9-dimethyl-2-N,7-N-bis(4-phenylphenyl)-4a,9a-dihydrofluorene-2,7-diamine?
2-N-[4-(1,3-benzoxazol-2-yl)phenyl]-7-N-[4-(4-ethyl-4H-chromen-2-yl)phenyl]-9,9-dimethyl-2-N,7-N-bis(4-phenylphenyl)-4a,9a-dihydrofluorene-2,7-diamine has a molecular weight of 958.22 g/mol, XLogP of 18.51, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[4-(1,3-benzoxazol-2-yl)phenyl]-7-N-[4-(4-ethyl-4H-chromen-2-yl)phenyl]-9,9-dimethyl-2-N,7-N-bis(4-phenylphenyl)-4a,9a-dihydrofluorene-2,7-diamine is sourced from PubChem (CID 170267530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).