N-(9,9-dimethylfluoren-2-yl)-12,12-dimethyl-N-phenyl-5-(3-spiro[fluorene-9,9'-xanthene]-1-ylphenyl)indeno[1,2-c]carbazol-2-amine

C73H52N2O — CID 153319174

IUPACN-(9,9-dimethylfluoren-2-yl)-12,12-dimethyl-N-phenyl-5-(3-spiro[fluorene-9,9'-xanthene]-1-ylphenyl)indeno[1,2-c]carbazol-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)c3c5c(ccc3n4-c3cccc(-c4cccc6c4C4(c7ccccc7Oc7ccccc74)c4ccccc4-6)c3)-c3ccccc3C5(C)C)cc21
InChIInChI=1S/C73H52N2O/c1-71(2)58-29-11-8-24-51(58)54-38-36-49(44-63(54)71)74(46-21-6-5-7-22-46)48-37-40-64-57(43-48)68-65(41-39-56-52-25-9-12-30-59(52)72(3,4)70(56)68)75(64)47-23-18-20-45(42-47)50-27-19-28-55-53-26-10-13-31-60(53)73(69(50)55)61-32-14-16-34-66(61)76-67-35-17-15-33-62(67)73/h5-44H,1-4H3
InChIKeyCPMZFKWBAFRGEQ-UHFFFAOYSA-N
MW973.23 g/mol
LogP19.00
Rot. Bonds5

About N-(9,9-dimethylfluoren-2-yl)-12,12-dimethyl-N-phenyl-5-(3-spiro[fluorene-9,9'-xanthene]-1-ylphenyl)indeno[1,2-c]carbazol-2-amine

N-(9,9-dimethylfluoren-2-yl)-12,12-dimethyl-N-phenyl-5-(3-spiro[fluorene-9,9'-xanthene]-1-ylphenyl)indeno[1,2-c]carbazol-2-amine (PubChem CID 153319174) has the molecular formula C73H52N2O and a molecular weight of 973.23 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-12,12-dimethyl-N-phenyl-5-(3-spiro[fluorene-9,9'-xanthene]-1-ylphenyl)indeno[1,2-c]carbazol-2-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-12,12-dimethyl-N-phenyl-5-(3-spiro[fluorene-9,9'-xanthene]-1-ylphenyl)indeno[1,2-c]carbazol-2-amine
PubChem CID153319174
Molecular FormulaC73H52N2O
Molecular Weight973.23 g/mol
Exact Mass972.41
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-12,12-dimethyl-N-phenyl-5-(3-spiro[fluorene-9,9'-xanthene]-1-ylphenyl)indeno[1,2-c]carbazol-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)c3c5c(ccc3n4-c3cccc(-c4cccc6c4C4(c7ccccc7Oc7ccccc74)c4ccccc4-6)c3)-c3ccccc3C5(C)C)cc21
InChIInChI=1S/C73H52N2O/c1-71(2)58-29-11-8-24-51(58)54-38-36-49(44-63(54)71)74(46-21-6-5-7-22-46)48-37-40-64-57(43-48)68-65(41-39-56-52-25-9-12-30-59(52)72(3,4)70(56)68)75(64)47-23-18-20-45(42-47)50-27-19-28-55-53-26-10-13-31-60(53)73(69(50)55)61-32-14-16-34-66(61)76-67-35-17-15-33-62(67)73/h5-44H,1-4H3
InChIKeyCPMZFKWBAFRGEQ-UHFFFAOYSA-N
XLogP19.00
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500973.23
LogP ≤ 519.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(9,9-dimethylfluoren-2-yl)-12,12-dimethyl-N-phenyl-5-(3-spiro[fluorene-9,9'-xanthene]-1-ylphenyl)indeno[1,2-c]carbazol-2-amine with MolForge

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Related Compounds

9,9-dimethyl-N-phenyl-N-(4-spiro[fluorene-9,9'-xanthene]-1-ylphenyl)fluoren-2-amine
CID 146333571
N-(9,9-dimethylfluoren-2-yl)-12,12-dimethyl-N-phenyl-5-(3-spiro[fluorene-9,9'-thioxanthene]-1-ylphenyl)indeno[1,2-c]carbazol-2-amine;7,7-dimethyl-5-spiro[fluorene-9,9'-thioxanthene]-1-ylindeno[2,1-b]carbazole;7-phenyl-5-spiro[fluorene-9,9'-thioxanthene]-1-ylindolo[2,3-b]carbazole;9-(4-spiro[fluorene-9,9'-thioxanthene]-1-ylphenyl)carbazole
CID 158558641
9,9-dimethyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(9,9'-spirobi[fluorene]-1'-yl)phenyl]fluoren-2-amine
CID 121358356
9,9-dimethyl-N-phenyl-N-[4-(2'-phenylspiro[fluorene-9,9'-xanthene]-1-yl)phenyl]fluoren-2-amine
CID 146333663
N-(9,9-dimethylfluoren-2-yl)-N,9-diphenyl-5-(2-phenylphenyl)carbazol-3-amine
CID 169010390
N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-[4-(9,9'-spirobi[fluorene]-1'-yl)phenyl]aniline;9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-1'-yl)phenyl]fluoren-2-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-1'-yl)phenyl]aniline
CID 159107567
N-(9,9-dimethylfluoren-2-yl)-4-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-1-amine
CID 146333533
N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(4-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-3'-yl)carbazol-3-amine;bis(N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-(4-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-3'-yl)carbazol-3-amine)
CID 165079610
N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[fluorene-9,9'-xanthene]-1-amine
CID 146333673
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[9-[3-[9-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]carbazol-3-yl]phenyl]carbazol-3-yl]phenyl]fluoren-2-amine
CID 167287563
N-dibenzo-p-dioxin-2-yl-N-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-3-amine
CID 126629726
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[4-(9,9'-spirobi[fluorene]-1'-yl)phenyl]phenyl]fluoren-2-amine
CID 155280447

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-12,12-dimethyl-N-phenyl-5-(3-spiro[fluorene-9,9'-xanthene]-1-ylphenyl)indeno[1,2-c]carbazol-2-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-12,12-dimethyl-N-phenyl-5-(3-spiro[fluorene-9,9'-xanthene]-1-ylphenyl)indeno[1,2-c]carbazol-2-amine (CID 153319174) is N-(9,9-dimethylfluoren-2-yl)-12,12-dimethyl-N-phenyl-5-(3-spiro[fluorene-9,9'-xanthene]-1-ylphenyl)indeno[1,2-c]carbazol-2-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-12,12-dimethyl-N-phenyl-5-(3-spiro[fluorene-9,9'-xanthene]-1-ylphenyl)indeno[1,2-c]carbazol-2-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-12,12-dimethyl-N-phenyl-5-(3-spiro[fluorene-9,9'-xanthene]-1-ylphenyl)indeno[1,2-c]carbazol-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)c3c5c(ccc3n4-c3cccc(-c4cccc6c4C4(c7ccccc7Oc7ccccc74)c4ccccc4-6)c3)-c3ccccc3C5(C)C)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-12,12-dimethyl-N-phenyl-5-(3-spiro[fluorene-9,9'-xanthene]-1-ylphenyl)indeno[1,2-c]carbazol-2-amine?
The InChIKey is CPMZFKWBAFRGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H52N2O/c1-71(2)58-29-11-8-24-51(58)54-38-36-49(44-63(54)71)74(46-21-6-5-7-22-46)48-37-40-64-57(43-48)68-65(41-39-56-52-25-9-12-30-59(52)72(3,4)70(56)68)75(64)47-23-18-20-45(42-47)50-27-19-28-55-53-26-10-13-31-60(53)73(69(50)55)61-32-14-16-34-66(61)76-67-35-17-15-33-62(67)73/h5-44H,1-4H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-12,12-dimethyl-N-phenyl-5-(3-spiro[fluorene-9,9'-xanthene]-1-ylphenyl)indeno[1,2-c]carbazol-2-amine?
N-(9,9-dimethylfluoren-2-yl)-12,12-dimethyl-N-phenyl-5-(3-spiro[fluorene-9,9'-xanthene]-1-ylphenyl)indeno[1,2-c]carbazol-2-amine has a molecular weight of 973.23 g/mol, XLogP of 19.00, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-12,12-dimethyl-N-phenyl-5-(3-spiro[fluorene-9,9'-xanthene]-1-ylphenyl)indeno[1,2-c]carbazol-2-amine is sourced from PubChem (CID 153319174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).