2-N,7-N-bis(9-ethyl-7-methylcarbazol-2-yl)-2-N,7-N-bis(4-methoxyphenyl)spiro[fluorene-9,9'-xanthene]-2,7-diamine

C69H56N4O3 — CID 146553281

IUPAC2-N,7-N-bis(9-ethyl-7-methylcarbazol-2-yl)-2-N,7-N-bis(4-methoxyphenyl)spiro[fluorene-9,9'-xanthene]-2,7-diamine
SMILESCCn1c2cc(C)ccc2c2ccc(N(c3ccc(OC)cc3)c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3cc(N(c5ccc(OC)cc5)c5ccc6c7ccc(C)cc7n(CC)c6c5)ccc3-4)cc21
InChIInChI=1S/C69H56N4O3/c1-7-70-63-37-43(3)17-31-55(63)57-35-25-49(41-65(57)70)72(45-19-27-51(74-5)28-20-45)47-23-33-53-54-34-24-48(40-62(54)69(61(53)39-47)59-13-9-11-15-67(59)76-68-16-12-10-14-60(68)69)73(46-21-29-52(75-6)30-22-46)50-26-36-58-56-32-18-44(4)38-64(56)71(8-2)66(58)42-50/h9-42H,7-8H2,1-6H3
InChIKeyQHBZQTHRZUZKPU-UHFFFAOYSA-N
MW989.23 g/mol
LogP17.98
Rot. Bonds10

About 2-N,7-N-bis(9-ethyl-7-methylcarbazol-2-yl)-2-N,7-N-bis(4-methoxyphenyl)spiro[fluorene-9,9'-xanthene]-2,7-diamine

2-N,7-N-bis(9-ethyl-7-methylcarbazol-2-yl)-2-N,7-N-bis(4-methoxyphenyl)spiro[fluorene-9,9'-xanthene]-2,7-diamine (PubChem CID 146553281) has the molecular formula C69H56N4O3 and a molecular weight of 989.23 g/mol. Its IUPAC name is 2-N,7-N-bis(9-ethyl-7-methylcarbazol-2-yl)-2-N,7-N-bis(4-methoxyphenyl)spiro[fluorene-9,9'-xanthene]-2,7-diamine.

Molecular Properties

Compound Name2-N,7-N-bis(9-ethyl-7-methylcarbazol-2-yl)-2-N,7-N-bis(4-methoxyphenyl)spiro[fluorene-9,9'-xanthene]-2,7-diamine
PubChem CID146553281
Molecular FormulaC69H56N4O3
Molecular Weight989.23 g/mol
Exact Mass988.44
IUPAC Name2-N,7-N-bis(9-ethyl-7-methylcarbazol-2-yl)-2-N,7-N-bis(4-methoxyphenyl)spiro[fluorene-9,9'-xanthene]-2,7-diamine
SMILESCCn1c2cc(C)ccc2c2ccc(N(c3ccc(OC)cc3)c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3cc(N(c5ccc(OC)cc5)c5ccc6c7ccc(C)cc7n(CC)c6c5)ccc3-4)cc21
InChIInChI=1S/C69H56N4O3/c1-7-70-63-37-43(3)17-31-55(63)57-35-25-49(41-65(57)70)72(45-19-27-51(74-5)28-20-45)47-23-33-53-54-34-24-48(40-62(54)69(61(53)39-47)59-13-9-11-15-67(59)76-68-16-12-10-14-60(68)69)73(46-21-29-52(75-6)30-22-46)50-26-36-58-56-32-18-44(4)38-64(56)71(8-2)66(58)42-50/h9-42H,7-8H2,1-6H3
InChIKeyQHBZQTHRZUZKPU-UHFFFAOYSA-N
XLogP17.98
TPSA44.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500989.23
LogP ≤ 517.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-N,7-N-bis(9-ethyl-7-methylcarbazol-2-yl)-2-N,7-N-bis(4-methoxyphenyl)spiro[fluorene-9,9'-thioxanthene]-2,7-diamine
CID 146553755
2-N',7-N'-bis(9-ethylcarbazol-2-yl)-2-N',7-N'-bis(4-methoxyphenyl)-9,9'-spirobi[fluorene]-2',7'-diamine
CID 146553016
2-N,7-N-bis(4-methoxyphenyl)-2-N,7-N-di(spiro[fluorene-9,9'-xanthene]-2-yl)-9-sulfanylcarbazole-2,7-diamine
CID 142611571
2-N',7-N'-bis(9-ethyl-7-phenoxycarbazol-2-yl)-2-N',7-N'-bis(4-methoxyphenyl)spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,9'-fluorene]-2',7'-diamine
CID 146553011
2-N,2-N',7-N,7-N'-tetrakis(4-methoxyphenyl)-2-N,2-N',7-N,7-N'-tetrakis(4-methylphenyl)-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
CID 57337080
2,7-dimethylspiro[fluorene-9,9'-xanthene]
CID 58250911
2-N,2-N',7-N,7-N'-tetrakis(9,9-dimethylfluoren-2-yl)-2-N,2-N',7-N,7-N'-tetrakis(4-methoxyphenyl)-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
CID 134516059
2-N',2-N',3-N,3-N,6-N,6-N,7-N',7-N'-octakis(4-methoxyphenyl)-9,9'-spirobi[fluorene]-2',3,6,7'-tetramine
CID 167156209
N-phenanthren-2-yl-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 90153947
N-(4-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138475877
N-(9,9-dimethylfluoren-2-yl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138476546
2-N,2-N',2-N',7-N,7-N'-pentakis(4-methylphenyl)-2-N,7-N,7-N'-triphenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
CID 129292300

Frequently Asked Questions

What is the IUPAC name of 2-N,7-N-bis(9-ethyl-7-methylcarbazol-2-yl)-2-N,7-N-bis(4-methoxyphenyl)spiro[fluorene-9,9'-xanthene]-2,7-diamine?
The IUPAC name of 2-N,7-N-bis(9-ethyl-7-methylcarbazol-2-yl)-2-N,7-N-bis(4-methoxyphenyl)spiro[fluorene-9,9'-xanthene]-2,7-diamine (CID 146553281) is 2-N,7-N-bis(9-ethyl-7-methylcarbazol-2-yl)-2-N,7-N-bis(4-methoxyphenyl)spiro[fluorene-9,9'-xanthene]-2,7-diamine.
What is the SMILES notation for 2-N,7-N-bis(9-ethyl-7-methylcarbazol-2-yl)-2-N,7-N-bis(4-methoxyphenyl)spiro[fluorene-9,9'-xanthene]-2,7-diamine?
The canonical SMILES for 2-N,7-N-bis(9-ethyl-7-methylcarbazol-2-yl)-2-N,7-N-bis(4-methoxyphenyl)spiro[fluorene-9,9'-xanthene]-2,7-diamine is CCn1c2cc(C)ccc2c2ccc(N(c3ccc(OC)cc3)c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3cc(N(c5ccc(OC)cc5)c5ccc6c7ccc(C)cc7n(CC)c6c5)ccc3-4)cc21.
What is the InChIKey of 2-N,7-N-bis(9-ethyl-7-methylcarbazol-2-yl)-2-N,7-N-bis(4-methoxyphenyl)spiro[fluorene-9,9'-xanthene]-2,7-diamine?
The InChIKey is QHBZQTHRZUZKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H56N4O3/c1-7-70-63-37-43(3)17-31-55(63)57-35-25-49(41-65(57)70)72(45-19-27-51(74-5)28-20-45)47-23-33-53-54-34-24-48(40-62(54)69(61(53)39-47)59-13-9-11-15-67(59)76-68-16-12-10-14-60(68)69)73(46-21-29-52(75-6)30-22-46)50-26-36-58-56-32-18-44(4)38-64(56)71(8-2)66(58)42-50/h9-42H,7-8H2,1-6H3.
What are the key properties of 2-N,7-N-bis(9-ethyl-7-methylcarbazol-2-yl)-2-N,7-N-bis(4-methoxyphenyl)spiro[fluorene-9,9'-xanthene]-2,7-diamine?
2-N,7-N-bis(9-ethyl-7-methylcarbazol-2-yl)-2-N,7-N-bis(4-methoxyphenyl)spiro[fluorene-9,9'-xanthene]-2,7-diamine has a molecular weight of 989.23 g/mol, XLogP of 17.98, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,7-N-bis(9-ethyl-7-methylcarbazol-2-yl)-2-N,7-N-bis(4-methoxyphenyl)spiro[fluorene-9,9'-xanthene]-2,7-diamine is sourced from PubChem (CID 146553281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).