N-[4-[4-[4-(3,6-dicyclopentylcarbazol-9-yl)phenyl]phenyl]phenyl]-9,9-diphenyl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine;N-[4-[4-[4-(3,6-dicyclopentylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-[2-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine

C166H130N4 — CID 159790785

IUPACN-[4-[4-[4-(3,6-dicyclopentylcarbazol-9-yl)phenyl]phenyl]phenyl]-9,9-diphenyl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine;N-[4-[4-[4-(3,6-dicyclopentylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-[2-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
SMILESc1ccc(-c2ccc(-c3ccccc3N(c3ccc(-c4ccc(-c5ccc(-n6c7ccc(C8CCCC8)cc7c7cc(C8CCCC8)ccc76)cc5)cc4)cc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cc2)cc1.c1ccc(-c2ccc(-c3ccccc3N(c3ccc(-c4ccc(-c5ccc(-n6c7ccc(C8CCCC8)cc7c7cc(C8CCCC8)ccc76)cc5)cc4)cc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2)cc1
InChIInChI=1S/C83H64N2.C83H66N2/c1-2-16-55(17-3-1)58-34-36-63(37-35-58)69-22-11-15-29-80(69)84(68-48-49-73-72-25-10-14-28-78(72)83(79(73)54-68)76-26-12-8-23-70(76)71-24-9-13-27-77(71)83)66-44-38-61(39-45-66)59-30-32-60(33-31-59)62-40-46-67(47-41-62)85-81-50-42-64(56-18-4-5-19-56)52-74(81)75-53-65(43-51-82(75)85)57-20-6-7-21-57;1-4-18-57(19-5-1)60-36-38-65(39-37-60)73-28-15-17-31-80(73)84(72-50-51-75-74-29-14-16-30-78(74)83(79(75)56-72,68-24-6-2-7-25-68)69-26-8-3-9-27-69)70-46-40-63(41-47-70)61-32-34-62(35-33-61)64-42-48-71(49-43-64)85-81-52-44-66(58-20-10-11-21-58)54-76(81)77-55-67(45-53-82(77)85)59-22-12-13-23-59/h1-3,8-17,22-54,56-57H,4-7,18-21H2;1-9,14-19,24-56,58-59H,10-13,20-23H2
InChIKeyNINKMDQGRZBBTM-UHFFFAOYSA-N
MW2180.89 g/mol
LogP45.18
Rot. Bonds22

About N-[4-[4-[4-(3,6-dicyclopentylcarbazol-9-yl)phenyl]phenyl]phenyl]-9,9-diphenyl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine;N-[4-[4-[4-(3,6-dicyclopentylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-[2-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine

N-[4-[4-[4-(3,6-dicyclopentylcarbazol-9-yl)phenyl]phenyl]phenyl]-9,9-diphenyl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine;N-[4-[4-[4-(3,6-dicyclopentylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-[2-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine (PubChem CID 159790785) has the molecular formula C166H130N4 and a molecular weight of 2180.89 g/mol. Its IUPAC name is N-[4-[4-[4-(3,6-dicyclopentylcarbazol-9-yl)phenyl]phenyl]phenyl]-9,9-diphenyl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine;N-[4-[4-[4-(3,6-dicyclopentylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-[2-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

Compound NameN-[4-[4-[4-(3,6-dicyclopentylcarbazol-9-yl)phenyl]phenyl]phenyl]-9,9-diphenyl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine;N-[4-[4-[4-(3,6-dicyclopentylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-[2-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
PubChem CID159790785
Molecular FormulaC166H130N4
Molecular Weight2180.89 g/mol
Exact Mass2179.03
IUPAC NameN-[4-[4-[4-(3,6-dicyclopentylcarbazol-9-yl)phenyl]phenyl]phenyl]-9,9-diphenyl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine;N-[4-[4-[4-(3,6-dicyclopentylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-[2-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
SMILESc1ccc(-c2ccc(-c3ccccc3N(c3ccc(-c4ccc(-c5ccc(-n6c7ccc(C8CCCC8)cc7c7cc(C8CCCC8)ccc76)cc5)cc4)cc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cc2)cc1.c1ccc(-c2ccc(-c3ccccc3N(c3ccc(-c4ccc(-c5ccc(-n6c7ccc(C8CCCC8)cc7c7cc(C8CCCC8)ccc76)cc5)cc4)cc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2)cc1
InChIInChI=1S/C83H64N2.C83H66N2/c1-2-16-55(17-3-1)58-34-36-63(37-35-58)69-22-11-15-29-80(69)84(68-48-49-73-72-25-10-14-28-78(72)83(79(73)54-68)76-26-12-8-23-70(76)71-24-9-13-27-77(71)83)66-44-38-61(39-45-66)59-30-32-60(33-31-59)62-40-46-67(47-41-62)85-81-50-42-64(56-18-4-5-19-56)52-74(81)75-53-65(43-51-82(75)85)57-20-6-7-21-57;1-4-18-57(19-5-1)60-36-38-65(39-37-60)73-28-15-17-31-80(73)84(72-50-51-75-74-29-14-16-30-78(74)83(79(75)56-72,68-24-6-2-7-25-68)69-26-8-3-9-27-69)70-46-40-63(41-47-70)61-32-34-62(35-33-61)64-42-48-71(49-43-64)85-81-52-44-66(58-20-10-11-21-58)54-76(81)77-55-67(45-53-82(77)85)59-22-12-13-23-59/h1-3,8-17,22-54,56-57H,4-7,18-21H2;1-9,14-19,24-56,58-59H,10-13,20-23H2
InChIKeyNINKMDQGRZBBTM-UHFFFAOYSA-N
XLogP45.18
TPSA16.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds22
Heavy Atoms170
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002180.89
LogP ≤ 545.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[4-[4-[4-(3,6-dicyclopentylcarbazol-9-yl)phenyl]phenyl]phenyl]-9,9-diphenyl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine;N-[4-[4-[4-(3,6-dicyclopentylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-[2-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[4-(3,6-dicyclopentylcarbazol-9-yl)phenyl]phenyl]phenyl]-9,9-diphenyl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine;N-[4-[4-[4-(3,6-dicyclopentylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-[2-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine?
The IUPAC name of N-[4-[4-[4-(3,6-dicyclopentylcarbazol-9-yl)phenyl]phenyl]phenyl]-9,9-diphenyl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine;N-[4-[4-[4-(3,6-dicyclopentylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-[2-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine (CID 159790785) is N-[4-[4-[4-(3,6-dicyclopentylcarbazol-9-yl)phenyl]phenyl]phenyl]-9,9-diphenyl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine;N-[4-[4-[4-(3,6-dicyclopentylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-[2-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine.
What is the SMILES notation for N-[4-[4-[4-(3,6-dicyclopentylcarbazol-9-yl)phenyl]phenyl]phenyl]-9,9-diphenyl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine;N-[4-[4-[4-(3,6-dicyclopentylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-[2-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine?
The canonical SMILES for N-[4-[4-[4-(3,6-dicyclopentylcarbazol-9-yl)phenyl]phenyl]phenyl]-9,9-diphenyl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine;N-[4-[4-[4-(3,6-dicyclopentylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-[2-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine is c1ccc(-c2ccc(-c3ccccc3N(c3ccc(-c4ccc(-c5ccc(-n6c7ccc(C8CCCC8)cc7c7cc(C8CCCC8)ccc76)cc5)cc4)cc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cc2)cc1.c1ccc(-c2ccc(-c3ccccc3N(c3ccc(-c4ccc(-c5ccc(-n6c7ccc(C8CCCC8)cc7c7cc(C8CCCC8)ccc76)cc5)cc4)cc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2)cc1.
What is the InChIKey of N-[4-[4-[4-(3,6-dicyclopentylcarbazol-9-yl)phenyl]phenyl]phenyl]-9,9-diphenyl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine;N-[4-[4-[4-(3,6-dicyclopentylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-[2-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine?
The InChIKey is NINKMDQGRZBBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C83H64N2.C83H66N2/c1-2-16-55(17-3-1)58-34-36-63(37-35-58)69-22-11-15-29-80(69)84(68-48-49-73-72-25-10-14-28-78(72)83(79(73)54-68)76-26-12-8-23-70(76)71-24-9-13-27-77(71)83)66-44-38-61(39-45-66)59-30-32-60(33-31-59)62-40-46-67(47-41-62)85-81-50-42-64(56-18-4-5-19-56)52-74(81)75-53-65(43-51-82(75)85)57-20-6-7-21-57;1-4-18-57(19-5-1)60-36-38-65(39-37-60)73-28-15-17-31-80(73)84(72-50-51-75-74-29-14-16-30-78(74)83(79(75)56-72,68-24-6-2-7-25-68)69-26-8-3-9-27-69)70-46-40-63(41-47-70)61-32-34-62(35-33-61)64-42-48-71(49-43-64)85-81-52-44-66(58-20-10-11-21-58)54-76(81)77-55-67(45-53-82(77)85)59-22-12-13-23-59/h1-3,8-17,22-54,56-57H,4-7,18-21H2;1-9,14-19,24-56,58-59H,10-13,20-23H2.
What are the key properties of N-[4-[4-[4-(3,6-dicyclopentylcarbazol-9-yl)phenyl]phenyl]phenyl]-9,9-diphenyl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine;N-[4-[4-[4-(3,6-dicyclopentylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-[2-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine?
N-[4-[4-[4-(3,6-dicyclopentylcarbazol-9-yl)phenyl]phenyl]phenyl]-9,9-diphenyl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine;N-[4-[4-[4-(3,6-dicyclopentylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-[2-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine has a molecular weight of 2180.89 g/mol, XLogP of 45.18, 22 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[4-(3,6-dicyclopentylcarbazol-9-yl)phenyl]phenyl]phenyl]-9,9-diphenyl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine;N-[4-[4-[4-(3,6-dicyclopentylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-[2-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 159790785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).